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Profile: ChemSpecial supports pharmaceutical, biotech and agrochemical industries in their research, development and manufacture. Custom synthesis products and pharmaceutical intermediates forms our core business. We are also devoted to innovative chemical process technologies for the production of key pharmaceutical intermediates and active pharmaceutical ingredients.

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• D-Phenylalanine, 4-ethyl-
IUPAC Name: (2R)-2-amino-3-(4-ethylphenyl)propanoic acid | CAS Registry Number: 721385-17-7
Synonyms: (R)-2-amino-3-(4-ethylphenyl)propanoic acid, AG-G-83526, (2R)-2-AMINO-3-(4-ETHYLPHENYL)PROPANOIC ACID, D-Phenylalanine,4-ethyl-, SureCN6780819, D-4-ETHYLPHENYLALANINE, 4-ETHYL-D-PHENYLALANINE, CTK5D5587, MolPort-008-155-750, D-PHENYLALANINE, 4-ETHYL-, AB33358, AC-4450, AK116790, KB-02824, Q377, (R)-2-AMINO-3-(4-ETHYL-PHENYL)-PROPIONIC ACID

Molecular Formula: C11H15NO2Molecular Weight: 193.242300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AWKDBHFQJATNBQ-SNVBAGLBSA-N

• D-Phenylalaninol
IUPAC Name: 2-amino-3-phenylpropan-1-ol | CAS Registry Number: 5267-64-1
Synonyms: L-Phenylalaninol, S-Phenylalaninol, Phenylalaninol, (S)-2-Benzylethanolamine, (S)-beta-Aminobenzenepropanol, Benzenepropanol, beta-amino-, L-2-Amino-3-phenyl-1-propanol, L-2-Amino-3-phenylpropan-1-ol, 2-Amino-3-phenyl-1-propanol, (R)-2-Amino-3-phenylpropanol, EINECS 221-674-4, 1-Propanol, 2-amino-3-phenyl-, L-, NSC20899, EINECS 226-086-1, Benzenepropanol, beta-amino-, (S)-, NSC 20899, NSC133421, Benzenepropanol, .beta.-amino-, (R)-, NCGC00095352-01, (S)-(-)-2-Amino-3-phenyl-1-propanol

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: STVVMTBJNDTZBF-UHFFFAOYSA-N

• D-Propargylglycine
IUPAC Name: (2R)-2-aminopent-4-ynoic acid | CAS Registry Number: 87205-47-8
Synonyms: (R)-2-Aminopent-4-ynoic acid, 23235-03-2, AmbotzHAA6490, C5H7NO2, propargylglycine, (R)-isomer, 2-Amino-pent-4-ynoic acid;, CHEMBL51369, CTK8B3701, MolPort-003-793-975, ANW-42962, AG-E-67594, AK107685, KB-50452, KB-209885, LS-102303

Molecular Formula: C5H7NO2Molecular Weight: 113.114580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DGYHPLMPMRKMPD-SCSAIBSYSA-N

• D-Serine, O-methyl-
IUPAC Name: (2R)-2-amino-3-methoxypropanoic acid | CAS Registry Number: 86118-11-8
Synonyms: (R)-2-amino-3-methoxypropanoic acid, D-O-methylserine, o-methyl-d-serine, (R)-2-Amino-3-methoxylpropanoic acid, AmbotzHAA5010, AC1L3FBW, AC1Q5R16, CHEMBL549290, CTK3E8014, ACT00004, ANW-47017, AR-1K9205, BD2392, RW3041, AKOS006344245, (2R)-2-amino-3-methoxypropanoic acid, AC-1108, AK-77409, KB-209857, W8847

Molecular Formula: C4H9NO3Molecular Weight: 119.119160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KNTFCRCCPLEUQZ-GSVOUGTGSA-N

• D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
IUPAC Name: [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 149809-43-8
Synonyms: (5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester, CTK8E7411, FT-0675279, (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrof uran-3-ylmethyl ester, (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester, 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Molecular Formula: C21H21F2N3O4SMolecular Weight: 449.470946 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: DFWVLCJRFGIRAK-KKSFZXQISA-N

• D-Valinol
IUPAC Name: (2R)-2-amino-3-methylbutan-1-ol | CAS Registry Number: 4276-09-9
Synonyms: 284483_ALDRICH, ARK006, (R)-(−)-2-Amino-3-methyl-1-butanol

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N

• Dehydroepiandrosterone (DHEA)
IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-43-0
Synonyms: Dehydroepiandrosterone, Androstenolone, Psicosterone, Diandrone, Diandron, Dehydroisoandrosterone, DHEA, Prestara, PRASTERONE, Andrestenol, 17-Hormoforin, 17-Chetovis, Siscelar plus, trans-Dehydroandrosterone, Androstenol, Astenile, Deandros, Inflabloc, Anastar, Fidelin

Molecular Formula: C19H28O2Molecular Weight: 288.424420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FMGSKLZLMKYGDP-USOAJAOKSA-N

• Diacetyl-L-Tartaricanhydride
IUPAC Name: (4-acetyloxy-2,5-dioxooxolan-3-yl) acetate | CAS Registry Number: 6283-74-5
Synonyms: Tartaric anhydride, diacetate, TULIP002661, NSC7712, CID95411, EINECS 228-502-7, O,O-Diacetyl tartaric acid anhydride, (3R-trans)-Dihydro-2,5-dioxofuran-3,4-diyl diacetate, 2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3R-trans)-

Molecular Formula: C8H8O7Molecular Weight: 216.144920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XAKITKDHDMPGPW-UHFFFAOYSA-N

• Dibenzyl-D-Tartarate
IUPAC Name: dibenzyl (2S,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 4136-22-5
Synonyms: (2S,3S)-Dibenzyl 2,3-dihydroxysuccinate, (-)-DIBENZYL D-TARTRATE, ZINC02386959, (a")-Dibenzyl-D-tartrate, SureCN6575848, 95352_ALDRICH, 95352_FLUKA, CTK4I4744, MolPort-003-939-879, (−)-Dibenzyl D-tartrate, ACT06710, ANW-44515, SBB068461, AK-93421, KB-206698, ST50320104, I14-6993, diphenylmethyl (2S,3S)-2,3-dihydroxybutane-1,4-dioate, Butanedioic acid,2,3-dihydroxy-, 1,4-bis(phenylmethyl) ester, (2S,3S)-

Molecular Formula: C18H18O6Molecular Weight: 330.331920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LCKIPSGLXMCAOF-HOTGVXAUSA-N

• Diethyl-D-(-)-Tartrate
IUPAC Name: diethyl (2R,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13811-71-7
Synonyms: DIETHYL-D-TARTRATE, Diethyl 2,3-dihydroxysuccinate, ZINC01648297, Butanedioic acid, 2,3-dihydroxy-, diethyl ester, 87-91-2, InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H

Molecular Formula: C8H14O6Molecular Weight: 206.193160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YSAVZVORKRDODB-OLQVQODUSA-N

• Diisopropyl-L-(+)-Tartarate
IUPAC Name: dipropan-2-yl 2,3-dihydroxybutanedioate | CAS Registry Number: 2217-15-4
Synonyms: Di-isopropyl tartrate, Diisopropyl tartrate, Diisopropyl d-tartrate, (+)-Diisopropyl tartrate, Tartaric acid, diisopropyl ester, EINECS 218-709-0, BRN 1727863, NSC406502, LS-148579, 2-03-00-00331 (Beilstein Handbook Reference), Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-, 91007-92-0

Molecular Formula: C10H18O6Molecular Weight: 234.246320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XEBCWEDRGPSHQH-UHFFFAOYSA-N

• DL-2-(2-Chlorophenyl)glycine
IUPAC Name: 2-amino-2-(2-chlorophenyl)acetic acid | CAS Registry Number: 88744-36-9
Synonyms: ()-2-Chlorophenylglycine, 73187_FLUKA, NSC154921, STK138986, ()-alpha-Amino-2-chlorophenylacetic acid, TL8000917

Molecular Formula: C8H8ClNO2Molecular Weight: 185.607620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LMIZLNPFTRQPSF-UHFFFAOYSA-N

• DL-3-(3,4-Dimethoxyphenyl)-2-methylalanine
IUPAC Name: 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 10128-06-0
Synonyms: 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid, 3,4-DIMETHOXY-alpha-METHYL-DOPA, ST025330, (2s)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid, L-Dopa antagonist, L -Dopa antagonist, AC1MYGWV, SureCN6339567, TimTec1_002089, CTK8G4295, HMS1539O21, AKOS013804074, AB00514708, A800366, I01-2058, 2-azanyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid

Molecular Formula: C12H17NO4Molecular Weight: 239.267680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QCCQWLWXLUTSAK-UHFFFAOYSA-N

• Dl-Alpha-Amino-Epsilon-Caprolactam
IUPAC Name: 3-aminoazepan-2-one | CAS Registry Number: 671-42-1
Synonyms: 3-aminoazepan-2-one, 3-Amino-2-azepanone, 3-Aminohexahydro-2H-azepin-2-one, alpha-amino-epsilon-caprolactam, CHEBI:19471, AKE-BBV-098802, l-Alpha-amino-epsilon-caprolactam, 2H-Azepin-2-one, 3-aminohexahydro-, dl-Alpha-amino-epsilon-caprolactam, EINECS 211-584-3, CID102463, NSC522223, D-(+)-.alpha.-Amino-eta-caprolactam, BBV-098802, D-(+)-.alpha.-Amino-.epsilon.-caprolactam, C02837, 17929-90-7

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BOWUOGIPSRVRSJ-UHFFFAOYSA-N

• Eplerenone Intermediate
IUPAC Name: methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate | CAS Registry Number: 95716-70-4
Synonyms: Eplerenone intermediate, SureCN13007062, (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester, AKOS015964868

Molecular Formula: C24H30O5Molecular Weight: 398.492000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GWEKWJOSBYDYDP-CQPWOFQESA-N

• Ethyl (R)-(+)-4-Chloro-3-hydroxybutanoate
IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 90866-33-4
Synonyms: 460516_ALDRICH, ZINC02558233, Ethyl (R)-()-4-chloro-3-hydroxybutyrate, TL8005828, (R)-(+)-Ethyl-4-chloro-3-hydroxybutyrate

Molecular Formula: C6H11ClO3Molecular Weight: 166.602740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDSA-N

• Ethyl (R)-4-Cyano-3-Hydroxybutanoate
IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate | CAS Registry Number: 141942-85-0
Synonyms: 479772_ALDRICH, ZINC02562594, ZINC02567777, CID2733879, TL8006150, (R)-4-Cyano-3-hydroxybutyric acid ethyl ester, (R)-(−)-Ethyl 4-cyano-3-hydroxybutyrate, Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate

Molecular Formula: C7H11NO3Molecular Weight: 157.167140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LOQFROBMBSKWQY-ZCFIWIBFSA-N

• Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate | CAS Registry Number: 571-55-1
Synonyms: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate, Ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate, ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, AG-G-01418, AC1O1YXB, 441236_ALDRICH, MolPort-000-144-360, SBB099234, ZINC02582810, AKOS009124416, GK00720, AK-49930, BR-49930, EN002514, FT-0626025, W7066, C-5009, A831330, 3S104994

Molecular Formula: C9H11F3O4Molecular Weight: 240.176450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XNGGOXOLHQANRB-AATRIKPKSA-N

• Ethyl 2-Oxopropyl Sulfide
IUPAC Name: 1-ethylsulfanylpropan-2-one | CAS Registry Number: 20996-62-7
Synonyms: (Ethylthio)acetone, 1-(Ethylthio)acetone, 2-Propanone, 1-(ethylthio)-, Ethyl 2-oxopropyl sulfide, NSC100147, CID88750, EINECS 244-143-9, ZINC01657459, BBV-27118962, S09-0074

Molecular Formula: C5H10OSMolecular Weight: 118.197300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZKDXKBIOEVBFGV-UHFFFAOYSA-N

• Fmoc-D-Allylglycine
IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate | CAS Registry Number: 170642-28-1
Synonyms: ZINC02243682, ZINC02574680, CID7021746

Molecular Formula: C20H18NO4-Molecular Weight: 336.361220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YVBLQCANYSFEBN-GOSISDBHSA-M

• Fmoc-d-ile-oh
IUPAC Name: (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid | CAS Registry Number: 143688-83-9
Synonyms: Fmoc-D-isoleucine, Fmoc-D-Ile-OH, FMOC-D-ILE, SureCN118209, CTK8B7991, N-ALPHA-FMOC-D-ISOLEUCINE, ANW-59085, AB03074, AM81847, AK-49398, KB-52047, FMOC-(2R,3R)-2-AMINO-3-METHYLPENTANOIC ACID, N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-D-ISOLEUCINE, N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-D-ISOLEUCINE, (2R,3R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylpentanoic acid

Molecular Formula: C21H23NO4Molecular Weight: 353.411620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QXVFEIPAZSXRGM-BFUOFWGJSA-N

• Formamide,N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-
IUPAC Name: N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide | CAS Registry Number: 201677-59-0
Synonyms: (R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide, (R)-N-(2-(BENZYLOXY)-5-(2-BROMO-1-HYDROXYETHYL)PHENYL)FORMAMIDE, CTK4E3457, AKOS016009543, AG-E-47595, AK-50710, KB-210426, (R)-N-[2-Benzyloxy-5-(2-bromo-1-hydroxy-ethyl) -phenyl]-formamide, Formamide,N-[5-(2-bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]-, (R)-;

Molecular Formula: C16H16BrNO3Molecular Weight: 350.207140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HKSUZIIGCSOMPX-HNNXBMFYSA-N

• Gabapentin
IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid | CAS Registry Number: 60142-96-3
Synonyms: gabapentin, Neurontin, Gabapetin, Gabapentine, Aclonium, Gabapentin GR, Gabapen, Novo-Gabapentin, Apo-Gabapentin, Gabapentin Hexal, Gabapentin Stada, PMS-Gabapentin, Gabapentino [Spanish], Neurontin (TN), Prestwick_151, Gabapentin-ratiopharm, Gabapentine [INN-French], Gabapentinum [INN-Latin], Gabapentino [INN-Spanish], gabapentin (Neurontin)

Molecular Formula: C9H17NO2Molecular Weight: 171.236780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N

• H-D-ASP(OBZL)-OBZL TOSOH
IUPAC Name: dibenzyl (2R)-2-aminobutanedioate;4-methylbenzenesulfonic acid | CAS Registry Number: 4079-64-5
Synonyms: h-d-asp(obzl)-obzl tos, D-Aspartic acid dibenzyl ester-p-toluenesulfonate, d-aspartic acid dibenzyl ester tosylate, d-aspartic acid dibenzyl ester p-toluenesulfonate, d-aspdb tsoh, h-d-asp(obzl)-obzl ptsa, h-d-asp(obzl)-obzl tosoh, H-Asp(OBzl)-OBzl inverted exclamation mark currencyTosOH, h-d-asp(obzl)-obzl tos-oh, H-D-Asp(OBzl)-OBzl?TosOH, h-d-asp(obzl)-obzl p-tosylate, CTK1D5560, MolPort-002-500-316, d-aspartic acid(obzl)-obzl p-tosylate, AG-F-44879, AM81637, AK-49773, KB-49591, X4315, d-aspartic acid a,b-dibenzyl ester-p-tosylate

Molecular Formula: C25H27NO7SMolecular Weight: 485.549380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: HLMUYZYLPUHSNV-PKLMIRHRSA-N

• Hexanoic Acid, 3-Amino-5-Methyl-, (3R)-
IUPAC Name: 3-amino-5-methylhexanoic acid | CAS Registry Number: 91298-67-8
Synonyms: DL-beta-Homoleucine, 3-Amino-5-methylhexanoic acid, 21625_ALDRICH, 3-amino-5-methyl-hexanoic Acid, 21625_FLUKA, ()-3-Amino-5-methylcaproic acid, ()-3-Amino-5-methylhexanoic acid, ALBB-007476, STK504558, (+/-)-3-Amino-5-methylcaproic acid, CID2733735, (+/-)-3-Amino-5-methylhexanoic acid, TL8002696, 8T-0019

Molecular Formula: C7H15NO2Molecular Weight: 145.199500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MLYMSIKVLAPCAK-UHFFFAOYSA-N

• Hydroquinidine 1,4-phthalazinediyl diether
IUPAC Name: 1,4-bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine | CAS Registry Number: 140853-10-7
Synonyms: (DHQD)2PHAL, AD-mix-ss, AD-mix-|A, AD-mix-beta, PubChem21101, SureCN541620, SureCN616672, 392731_ALDRICH, MolPort-019-879-446, ACT08915, AKOS015950620, BP-12218, BP-12300, K802, AB1001964, FT-0649664, Hydroquinidine 1,4-phthalazinediyl diether((DHQD)2PHAL?

Molecular Formula: C48H54N6O4Molecular Weight: 778.980160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: YUCBLVFHJWOYDN-HVLQGHBFSA-N

• Hydroquinine 1,4-phthalazinediyl diether
IUPAC Name: 4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine | CAS Registry Number: 140924-50-1
Synonyms: (DHQ)2PHAL, A807708, AD-mix-|A, 4-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methoxy]-1-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methoxy]phthalazine, 4-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine, AD-mix-alpha, PubChem16094, ACT01798, AKOS015950622, BP-12219, AB1001966, V0813, (8ALPHA,9R,8'''ALPHA,9'''R)-9,9'-[PHTHALAZINE-1,4-DIYLBIS(OXY)]BIS(6'-METHOXY-10,11-DIHYDROCINCHONAN)

Molecular Formula: C48H54N6O4Molecular Weight: 778.980160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: YUCBLVFHJWOYDN-PPIALRKJSA-N

• Isoleucine
IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid | CAS Registry Number: 73-32-5
Synonyms: l-isoleucine, (S)-Isoleucine, (S,S)-Isoleucine, 2S,3S-Isoleucine, erythro-L-Isoleucine, Polyisoleucine, iso-leucine, Isoleucine (VAN), L-Ile, Isoleucinum [Latin], Poly(ile), L-(+)-Isoleucine, Isoleucina [Spanish], 2-Amino-3-methylvaleric acid, DL-Allo-isoleucine, Isoleucine (USP), Poly(L-isoleucine), Norvaline, 3-methyl-, ISOLEUCINE, L-, Isoleucine [USAN:INN]

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N

• L-Beta-Homophenylglycine hydrochloride
IUPAC Name: (3R)-3-amino-3-phenylpropanoic acid | CAS Registry Number: 83649-48-3
Synonyms: (R)-3-amino-3-phenylpropionic acid, AL380-1, TL8000892

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UJOYFRCOTPUKAK-MRVPVSSYSA-N

• L-Beta-leucine
IUPAC Name: (3R)-3-amino-4-methylpentanoic acid | CAS Registry Number: 75992-50-6
Synonyms: (r)-beta-homovaline, (r)-homo-beta-valine, (r)-3-amino-4-methylpentanoic acid, (3R)-3-amino-4-methylpentanoic acid, (3R)-3-Amino-4-methylvaleric acid, (r)-3-amino-4-methyl-pentanoic acid, (R)-b-homovaline, (R)-A-Homovaline, AmbotzHAA8610, C02486, AC1MC584, CHEBI:15604, MolPort-002-501-516, AKOS006282077, RL04892, AK-45075, KB-63272, I04-1181

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLUJNGJDHCTUJY-RXMQYKEDSA-N

• L-Glutamic Acid, 4-(phenylmethyl)-, (4S)-
IUPAC Name: (2S,4S)-2-amino-4-benzylpentanedioic acid | CAS Registry Number: 129446-71-5
Synonyms: (4S)-4-Benzyl-L-glutamic acid, (2s,4s)-2-amino-4-benzylpentanedioic acid, (2S,4S)-4-Benzyl-glutamicacid, L-Glutamic acid,4-(phenylmethyl)-, (4S)-, (2S,4S)-2-amino-4-benzyl-pentanedioic Acid, SureCN2265548, CHEMBL424016, CTK4B6279, CHEBI:375654, AG-D-59947, AK-57206, L-Glutamicacid, 4-(phenylmethyl)-, threo-, A13807

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ATCFYQUZTYQTJN-UWVGGRQHSA-N

• L-Menthyl 2,2-Dihydroxyacetate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate | CAS Registry Number: 111969-64-3
Synonyms: (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2,2-Dihydroxyacetate, SureCN12186820, (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl dihydroxy-acetate, AC1OL409, (-)-Menthyl 2,2-Dihydroxyacetate, ANW-16355, ZINC04826665, AKOS015856255, RL00480, FT-0642735, I0790, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate, 2,2-Dihydroxyacetic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester

Molecular Formula: C12H22O4Molecular Weight: 230.300680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BWZMJRSMHQDFIT-KXUCPTDWSA-N

• L-Proline, 4-(phenylmethyl)-, Cis- (9CI)
IUPAC Name: (2S,4S)-4-benzylpyrrolidine-2-carboxylic acid | CAS Registry Number: 82087-73-8
Synonyms: (2S,4S)-4-benzylpyrrolidine-2-carboxylic Acid, (4S)-4-Benzyl-L-proline, (2S,4S)-4-Benzyl-pyrrolidine-2-carboxylicacid, (2s,4s)-4-benzyl-pyrrolidine-2-carboxylic acid, SureCN3190846, CHEMBL1778777, CTK5E9402, MolPort-002-499-671, ANW-47990, AKOS015919822, AB42863, AG-H-29000, CIS-4-(PHENYLMETHYL)-L-PROLINE, AK-78954, BR-78954, KB-206837, L-Proline,4-(phenylmethyl)-, cis- (9CI), W8603, L-PROLINE, 4-(PHENYLMETHYL)-, CIS-, A13795

Molecular Formula: C12H15NO2Molecular Weight: 205.253000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JQVMMZMKXGQVGQ-QWRGUYRKSA-N

• Maleimide
IUPAC Name: pyrrole-2,5-dione | CAS Registry Number: 541-59-3
Synonyms: MALEIMIDE, Maleinimide, 2,5-Pyrroledione, Maleic imide, 1H-Pyrrole-2,5-dione, Pyrrole-2,5-dione, 3-Pyrroline-2,5-dione, WLN: T5VMVJ, CCRIS 3408, Maleimide-Related Compound 1, MLS001335859, MLS001335860, maleimide, silver (+1) salt, 129585_ALDRICH, 63171_FLUKA, CHEBI:16072, EINECS 208-787-4, NSC 13684, CID10935, NSC13684

Molecular Formula: C4H3NO2Molecular Weight: 97.072120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PEEHTFAAVSWFBL-UHFFFAOYSA-N

• Medetomidine Hydrochloride
IUPAC Name: 5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride | CAS Registry Number: 86347-15-1
Synonyms: Medetomidine hydrochloride, MPV 785, CHEBI:48556, Medetomidine hydrochloride (USAN), Medetomidine hydrochloride [USAN], D04883, (+-)-4-(alpha,2,3-Trimethylbenzyl)imidazole monohydrochloride, 4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride, 1H-Imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)-, monohydrochloride, (+-)-, 86347-14-0

Molecular Formula: C13H17ClN2Molecular Weight: 236.740480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VPNGEIHDPSLNMU-UHFFFAOYSA-N

• Menthyl lactate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate | CAS Registry Number: 59259-38-0
Synonyms: Frescolat, l-Menthyl lactate, MENTHYL LACTATE, Menthyl lactate, L-, FEMA No. 3748, Menthan-3-yl lactate, (-)-p-, STOCK1N-07137, EINECS 261-678-3, LS-179826, 5-Methyl-2-(1-methylethyl)cyclohexyl alpha-hydroxypropanoate, 2-Hydroxypropanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1alpha(R*),2beta,5alpha))-5-Methyl-2-(1-methylethyl)cyclohexyl lactate, Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, 5-Methyl-2-(1-methylethyl)cyclohexyl 2-hydroxypropanoate, (1R-(1alpha(R*),2beta,5alpha))-, Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1alpha(R*),2beta,5alpha))-, Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1theta-(1alpha(theta),2beta,5alpha))-

Molecular Formula: C13H24O3Molecular Weight: 228.327860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UJNOLBSYLSYIBM-SGUBAKSOSA-N

• Methanone, (5-Bromo-2-Pyridinyl)phenyl-
IUPAC Name: (5-bromopyridin-2-yl)-phenylmethanone | CAS Registry Number: 206357-52-0
Synonyms: (5-Bromo-pyridin-2-yl)-phenyl-methanone, (5-bromopyridin-2-yl)(phenyl)methanone, SureCN256768, CTK4E4741, MolPort-002-499-978, ACT09218, ANW-58566, ZINC02541712, (5-bromo-2-pyridinyl)-phenylmethanone, AKOS016003443, AG-E-51405, (5-bromopyridin-2-yl)-phenyl-methanone, (5-Bromopyridin-2-yl)-phenylmethanone;, Methanone,(5-bromo-2-pyridinyl)phenyl-, AK-80081, KB-62905, (5-bromanylpyridin-2-yl)-phenyl-methanone, A814761, S14-2492

Molecular Formula: C12H8BrNOMolecular Weight: 262.102020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LTXZWEQLVKTQRI-UHFFFAOYSA-N

• Methanone, [(2R)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-1-Piperazinyl-
IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone | CAS Registry Number: 860173-98-4
Synonyms: (R)-1,4-Benzodioxan-2-carboxypiperazine, (r)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, (r)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone, AC1LENGF, R-DOXAZOSININTERMEDIATE, CTK5F6189, ZINC19702071, AB29462, AG-H-47040, KB-151279, A-2349, A13362, 1-[(2r)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazine, (r)-(2,3-dihydrobenzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone, Methanone,[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-1-piperazinyl-, [(2R)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-METHANONE, Piperazine,1-[[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl]- (9CI), METHANONE, [(2R)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-

Molecular Formula: C13H16N2O3Molecular Weight: 248.277740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FLUPDJNTYCSBJZ-GFCCVEGCSA-N

• Methotrexate
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 59-05-2
Synonyms: methotrexate, Amethopterin, Mexate, Rheumatrex, Antifolan, Hdmtx, Methylaminopterin, Amethopterine, Methotextrate, Ledertrexate, Metatrexan, Methopterin, Methotrexat, Metolate, Maxtrex, Folex, Methylaminopterinum, L-Amethopterin, A-Methopterin, A-Methpterin

Molecular Formula: C20H22N8O5Molecular Weight: 454.439280 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: FBOZXECLQNJBKD-ZDUSSCGKSA-N

• Methyl (R)-(-)-mandelate
IUPAC Name: methyl (2R)-2-hydroxy-2-phenylacetate | CAS Registry Number: 20698-91-3
Synonyms: (R)-(-)-Methyl mandelate, methyl (2R)-2-hydroxy-2-phenylacetate, (-)-Methyl (R)-alpha-hydroxyphenylacetate, PubChem10418, AC1MC5BK, (-)-Methyl D-mandelate, Methyl D-(-)-Mandelate, SureCN186900, AC1Q41IX, D-Mandelic Acid methyl Ester, 251550_ALDRICH, (R)-mandelic acid methyl ester, ACT04305, FD1307, ZINC00391161, AKOS005146057, AKOS015855478, (R)-Methyl 2-hydroxy-2-phenylacetate, (-)-Methyl (R)-|A-hydroxyphenylacetate, AK-46628

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ITATYELQCJRCCK-MRVPVSSYSA-N

• Methyl (R)-2-chloropropionate
IUPAC Name: methyl (2R)-2-chloropropanoate | CAS Registry Number: 77287-29-7
Synonyms: Methyl 2-chloropropanoate, CCRIS 7388, 277754_ALDRICH, EINECS 278-658-5, (R)-2-Chloropropanoic acid methyl ester, ZINC02017921, (R)-()-Methyl (R)-2-chloropropionate, Propanoic acid, 2-chloro-, methyl ester, LS-188775, (R)-()-2-Chloropropionic acid methyl ester, InChI=1/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H, 17639-93-9

Molecular Formula: C4H7ClO2Molecular Weight: 122.550180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JLEJCNOTNLZCHQ-GSVOUGTGSA-N

• Methyl 1-Boc-4-piperidineacetate
IUPAC Name: tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate | CAS Registry Number: 175213-46-4
Synonyms: tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate, Methyl 1-N-Boc-4-piperidineacetate, N-Boc-piperidin-4-yl-acetic acid methyl ester, t-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate, Methyl1-Boc-4-piperidineacetate, Methyl N-Boc-4-piperidineacetate, AG-E-25501, 1-Boc-4-Piperidine acetate methyl ester, TERT-BUTYL 4-((METHOXYCARBONYL)METHYL)PIPERIDINE-1-CARBOXYLATE, PubChem11445, ACMC-209e9f, SureCN106242, AC1LTT83, Jsp003591, CTK4D5719, MolPort-000-004-554, ACN-S002977, ACT09124, ANW-22753, RW1108

Molecular Formula: C13H23NO4Molecular Weight: 257.326020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ADFSCQGCEAKLOE-UHFFFAOYSA-N

• Methyl 2-(2-bromo-1H-indol-3-yl)acetate
IUPAC Name: methyl 2-(2-bromo-1H-indol-3-yl)acetate | CAS Registry Number: 1912-35-2
Synonyms: METHYL 2-(2-BROMO-1H-INDOL-3-YL)ACETATE, AG-E-39635, CTK4E0617, ZINC16696608, AKOS015918053, KB-53664, methyl 2-(2-bromanyl-1H-indol-3-yl)ethanoate, 1H-Indole-3-aceticacid, 2-bromo-, methyl ester, A813478, (2-Bromo-1H-indol-3-yl)-acetic acid methyl ester, 2-(2-bromo-1H-indol-3-yl)acetic acid methyl ester, I14-8700, Indole-3-aceticacid, 2-bromo-, methyl ester (7CI,8CI);1H-Indole-3-acetic acid, 2-bromo-, methyl ester;

Molecular Formula: C11H10BrNO2Molecular Weight: 268.106600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PJILRCSPRGMWLW-UHFFFAOYSA-N

• Methyl Para Methoxyl Phenylacetate
IUPAC Name: methyl 2-(4-methoxyphenyl)acetate | CAS Registry Number: 23786-14-3
Synonyms: Methyl 4-methoxyphenylacetate, 199206_ALDRICH, Methyl (4-methoxyphenyl)acetate, EINECS 245-886-1, ZINC00391191, Benzeneacetic acid, 4-methoxy-, methyl ester, Acetic acid, (p-methoxyphenyl)-, methyl ester, ST5406452

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZQYLDVNTWDEAJI-UHFFFAOYSA-N

• Methyl(S)-3-Hydroxypentanoate
IUPAC Name: methyl (3S)-3-hydroxypentanoate | CAS Registry Number: 42558-50-9
Synonyms: (S)-Methyl 3-Hydroxypentanoate, Methyl (S)-3-hydroxypentanoate, (+)-Methyl (S)-3-hydroxypentanoate, (+)-Methyl (S)-3-hydroxyvalerate, AG-F-51340, PubChem21119, KSC494A0H, 56657_ALDRICH, 56657_FLUKA, CTK3J4003, MolPort-003-936-981, ()-Methyl (S)-3-hydroxyvalerate, ()-Methyl (S)-3-hydroxypentanoate, ANW-73356, AKOS015918249, AK-81905, FT-0600250, Pentanoicacid, 3-hydroxy-, methyl ester, (S)-;Methyl (S)-3-hydroxypentanoate;

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XHFXKKFVUDJSPJ-YFKPBYRVSA-N

• Milnacipran Hydrochloride
IUPAC Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride | CAS Registry Number: 101152-94-7
Synonyms: Milnacipran, Dalcipran, Toledomin, Ixel, Toledomin (TN), Milnacipran hydrochloride, MLS000758229, MLS001424149, Milnacipran hydrochloride (JAN), CID163701, CPD000449266, LS-58540, LS-58541, SAM001247035, SMR000449266, F 2207, D01107, 1-Phenyl-1-(diethylaminocarbonyl)-2-(aminomethyl)cyclopropane hydrochloride, cis-(+-)-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide monohydrochloride, Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, monohydrochloride, cis-(+-)-

Molecular Formula: C15H23ClN2OMolecular Weight: 282.808920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XNCDYJFPRPDERF-PBCQUBLHSA-N

• N-(2-Aminoethyl)-N-methyl carbamic acid tert-butyl ester
IUPAC Name: tert-butyl N-(2-aminoethyl)-N-methylcarbamate | CAS Registry Number: 121492-06-6
Synonyms: N-Boc-N-methylethylenediamine, n-boc-n-methyl-ethylenediamine, N-Boc-(2-Aminoethyl)-N-methylamine, tert-Butyl N-(2-aminoethyl)-N-methylcarbamate, SBB070199, AG-D-46613, tert-butyl 2-aminoethyl(methyl)carbamate, tert-Butyl N-methyl-N-(2-aminoethyl)carbamate, N-(2-Aminoethyl)-N-methylcarbamicacidtert-butylester, AC1MBTJH, AC1Q3XHB, ACMC-1C5QR, boc-n-methylethylenediamine, KSC495C7R, 15567_ALDRICH, (n-boc-n-methyl)ethylenediamine, N-boc-N-methyl ethyl enediamine, 15567_FLUKA, CTK3J5178, MolPort-000-151-049

Molecular Formula: C8H18N2O2Molecular Weight: 174.240720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QYJVBVKFXDHFPQ-UHFFFAOYSA-N

• N-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone | CAS Registry Number: 70918-00-2
Synonyms: Maybridge1_005103, Bionet2_001597, Oprea1_573270, ALBB-004718, ST5308760, TL8004995, 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLCARBONYL)PIPERAZINE, AN-708/37277001

Molecular Formula: C13H16N2O3Molecular Weight: 248.277740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FLUPDJNTYCSBJZ-UHFFFAOYSA-N

• N-Acetyl-L-Thioproline
IUPAC Name: 3-acetyl-1,3-thiazolidine-4-carboxylic acid | CAS Registry Number: 54323-50-1
Synonyms: N-ATC, Acetylthiazolidinecarboxylic acid, ChemDiv2_000828, MLS000035739, ARK084, STOCK1N-30681, 3-Acetyl-thiazolidine-4-carboxylic acid, N-Acetylthiazolidine-4-carboxylic acid, CID98928, EINECS 225-713-6, EINECS 259-102-0, NSC146111, 4-Thiazolidinecarboxylic acid, 3-acetyl-, N-Acetyl-4-thiazolidinecarboxylic acid, 3-Acetylthiazolidine-4-carboxylic acid, NSC 146111, SMR000012081, (R)-3-Acetylthiazolidine-4-carboxylic acid, EU-0079037, 5025-82-1

Molecular Formula: C6H9NO3SMolecular Weight: 175.205560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WXTBYSIPOKXCPM-UHFFFAOYSA-N

• N-Boc-1,3-diaminopropane
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]propylazanium | CAS Registry Number: 75178-96-0
Synonyms: ZINC02557991, CID7019266

Molecular Formula: C8H19N2O2+Molecular Weight: 175.248660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: POHWAQLZBIMPRN-UHFFFAOYSA-O


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