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• 1-Bromo-3-fluoro-4-(trifluoromethoxy)benzene
IUPAC Name: 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene | CAS Registry Number: 105529-58-6
Synonyms: 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene, 1-bromo-3-fluoro-4-(trifluoromethoxy)benzene, 1-Bromo-3-fluoro-4-trifluoromethoxybenzene, 4-Bromo-alpha,alpha,alpha,2-tetrafluoroanisole, 1682-06-0, 2-fluoro-4-bromotrifluoromethoxybenzene, 4-bromo-2-fluorotrifluoromethoxybenzene, 3-Fluoro-4-(trifluoromethoxy)bromobenzene, 4-Bromo-2-fluorophenyl trifluoromethyl ether, Benzene, 4-bromo-2-fluoro-1-(trifluoromethoxy)-, AG-D-19157, 2-Fluoro-4-bromotrifluoromethoxylphenol, 4-bromo-2-fluoro-(trifluoromethoxy)benzene, 4-Bromo-2-fluoro-1-trifluoromethoxybenzene, 3-BROMO-2-FLUOROTRIFLUOROMETHOXYBENZENE, PubChem14269, PubChem23179, AC1MD1TB, ACMC-2098gn, SureCN425877

Molecular Formula: C7H3BrF4OMolecular Weight: 258.995733 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SBSFDYRKNUCGBZ-UHFFFAOYSA-N

• 4-(Trifluoromethoxy)fluorobenzene
IUPAC Name: 1-fluoro-4-(trifluoromethoxy)benzene | CAS Registry Number: 352-67-0
Synonyms: 4-fluorotrifluoromethoxybenzene, p-Fluorophenyl trifluoromethyl ether, JRD-0568, 4-Fluorophenyl trifluoromethyl ether, EINECS 206-523-2, ZINC01847536, Benzene, 1-fluoro-4-(trifluoromethoxy)-, p,alpha,alpha,alpha-Tetrafluoroanisole, ST5407115, TL8002626, 3S103470

Molecular Formula: C7H4F4OMolecular Weight: 180.099673 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JULMJGDXANEQDP-UHFFFAOYSA-N

• 1,1'-Difluoro-2,2'-bipyridinium bis(tetrafluoroborate)
IUPAC Name: 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium | CAS Registry Number: 178439-26-4
Synonyms: ZINC00403261, CID2733932

Molecular Formula: C10H8F2N2+2Molecular Weight: 194.180726 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VWXNMFVNVKSKOB-UHFFFAOYSA-N

• (3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
IUPAC Name: (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione | CAS Registry Number: 75172-31-5
Synonyms: (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione, ST039719, (3R,4R)-1-Benzyl-3,4-dihydroxy-2,5-pyrrolidinedione, (3R,4R)-(+)-3,4-Dihydroxy-1-(phenylmethyl)-2,5pyrrolidinedione, 2,5-pyrrolidinedione, 3,4-dihydroxy-1-(phenylmethyl)-,(3r,4r)-, MLS001174505, AC1LE430, AC1Q6F24, SCHEMBL1503988, CHEMBL1304711, CTK5E1231, IZBMPGFJNIDMRR-RKDXNWHRSA-N, MolPort-002-930-112, HMS2858C06, ACT10182, AR-1D4594, STK014593, ZINC18090550, AKOS003415330, CB-4052

Molecular Formula: C11H11NO4Molecular Weight: 221.209340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IZBMPGFJNIDMRR-RKDXNWHRSA-N

• (2r,4r)-N-Boc-4-Hydroxy-2-Methylpyrrolidine
IUPAC Name: tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate | CAS Registry Number: 114676-93-6
Synonyms: AG-D-35100, (2R,4R)-N-BOC-4-HYDROXY-2-METHYLPYRROLIDINE, SureCN2202251, CTK4A8849, 1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R,4R)-, AKOS015840329, AK-55296, 1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R-trans)-;(2R,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-methylpyrrolidine;

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BXZADLGAYWRZCR-HTQZYQBOSA-N

• 1,2-Dibromo-4-fluorobenzene
IUPAC Name: 1,2-dibromo-4-fluorobenzene | CAS Registry Number: 2369-37-1
Synonyms: EINECS 219-131-1, CID75402, ST5408613

Molecular Formula: C6H3Br2FMolecular Weight: 253.894423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RNTGKISRXVFIIP-UHFFFAOYSA-N

• 1-Methylcyclopropane-1-carboxylic acid
IUPAC Name: 1-methylcyclopropane-1-carboxylic acid | CAS Registry Number: 6914-76-7
Synonyms: 1-Methylcyclopropanecarboxylic acid, 205605_ALDRICH, EINECS 230-020-7

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DIZKLZKLNKQFGB-UHFFFAOYSA-N

• 3-Nitrophenylacetylene
IUPAC Name: 1-ethynyl-3-nitrobenzene | CAS Registry Number: 3034-94-4
Synonyms: AmbTiN14260, 1-Ethynyl-3-nitrobenzene, Benzene, 1-ethynyl-3-nitro-, EINECS 221-232-0, CID76432, ZINC01433326, N14260

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JOUOQPWPDONKKS-UHFFFAOYSA-N

• 1-Ethyl-3,5-Dimethyl-1h-Pyrazole-4-Carbaldehyde
IUPAC Name: 1-ethyl-3,5-dimethylpyrazole-4-carbaldehyde | CAS Registry Number: 701911-46-8
Synonyms: ZINC02578423, ALBB-000344, STK315883, CID3157461, 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde, BAS 08766866, BBV-27077931

Molecular Formula: C8H12N2OMolecular Weight: 152.193680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDKOKWXOWTVYJR-UHFFFAOYSA-N

• 1-Bromo-2,3-difluorobenzene
IUPAC Name: 1-bromo-2,3-difluorobenzene | CAS Registry Number: 38573-88-5
Synonyms: 345717_ALDRICH, JRD-0137, ST5405267, TL8002811, InChI=1/C6H3BrF2/c7-4-2-1-3-5(8)6(4)9/h1-3

Molecular Formula: C6H3BrF2Molecular Weight: 192.988826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RKWWASUTWAFKHA-UHFFFAOYSA-N

• [6-(1-Pyrrolidinyl)-3-pyridinyl]methanol
IUPAC Name: (6-pyrrolidin-1-ylpyridin-3-yl)methanol | CAS Registry Number: 690632-01-0
Synonyms: (6-(pyrrolidin-1-yl)pyridin-3-yl)methanol, (6-pyrrolidin-1-ylpyridin-3-yl)methanol, SBB054798, AG-G-68344, 3-(Hydroxymethyl)-6-(pyrrolidin-1-yl)pyridine, [6-(pyrrolidin-1-yl)pyridin-3-yl]methanol, AC1MDRV8, SureCN3086082, CTK5C8972, MolPort-000-145-203, ANW-66542, AKOS005363169, (6-pyrrolidinyl-3-pyridyl)methan-1-ol, 3-Pyridinemethanol,6-(1-pyrrolidinyl)-, AK-39227, KB-02219, A9156, AM20061445, Y6356, 3-(Hydroxymethyl)-6-(pyrrolidin-1-yl)pyridine;

Molecular Formula: C10H14N2OMolecular Weight: 178.230960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RQBADLNZUDDIRG-UHFFFAOYSA-N

• (3R,4R)-3,4-Difluoropyrrolidin-1-ylethanol
IUPAC Name: 1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol | CAS Registry Number: 871822-43-4
Synonyms: (3R,4R)-3,4-DIFLUOROPYRROLIDIN-1-YLETHANOL, CTK5F8033, AKOS006307929, 1-Pyrrolidineethanol,3,4-difluoro-, (3R,4R)-, 822D434

Molecular Formula: C6H11F2NOMolecular Weight: 151.150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DMLZWOWSUJJYJL-YSLANXFLSA-N

• (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
IUPAC Name: (3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride | CAS Registry Number: 1049978-65-5
Synonyms: trans-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, MolPort-021-784-403, AKOS015924282, AK-42077, X8734, B-1878, Trans-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid-HCl, (+/-)-TRANS-4-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE

Molecular Formula: C12H13ClF3NO2Molecular Weight: 295.685330 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: QDRXDKSFBQDVPX-UXQCFNEQSA-N

• 3-Amino-3-(4-fluorophenyl)propanoic acid
IUPAC Name: 3-amino-3-(4-fluorophenyl)propanoic acid | CAS Registry Number: 325-89-3
Synonyms: 3-amino-3-(4-fluorophenyl)propanoic acid, 3-Amino-3-(4-fluorophenyl)propionic acid, 3-Amino-3-(4-fluoro-phenyl)-propionic acid, 3-(p-fluorophenyl)-dl-beta-alanine, 151911-23-8, dl-3-amino-3-(4-fluoro-phenyl)-propionic acid, (r)-3-(p-fluorophenyl)-beta-alanine, ZERO/001585, (r)-3-amino-3-(4-fluorophenyl)propionic acid, AC1LBBOK, PubChem13896, PubChem17300, ACMC-20a8bw, Benzenepropanoic acid, b-amino-4-fluoro-, (bR)-, Benzenepropanoic acid, b-amino-4-fluoro-, (bS)-, AC1Q4NMV, ACMC-1CNG4, ACMC-209xt7, SureCN1310948, Oprea1_786137

Molecular Formula: C9H10FNO2Molecular Weight: 183.179603 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CPGFMWPQXUXQRX-UHFFFAOYSA-N

• 1,5-Dimethyl-(1H)-Pyrazole-4-Methanamine
IUPAC Name: (1,5-dimethylpyrazol-4-yl)methanamine | CAS Registry Number: 400756-31-2
Synonyms: ALBB-000163, CID818472, STK263725, BAS 10155023, BBV-188117, (1,5-dimethyl-1H-pyrazol-4-yl)methylamine, 1-(1,5-dimethyl-1H-pyrazol-4-yl)methanamine, C-(1,5-Dimethyl-1H-pyrazol-4-yl)-methylamine, AG-664/25098014

Molecular Formula: C6H11N3Molecular Weight: 125.171640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YMMVIBHFGRZKPK-UHFFFAOYSA-N

• 1-(2-Fluorophenyl)-1H-Pyrazole-4-Carboxaldehyde
IUPAC Name: 1-(2-fluorophenyl)pyrazole-4-carbaldehyde | CAS Registry Number: 1015845-52-9
Synonyms: 1-(2-Fluorophenyl)-1H-Pyrazole-4-Carbaldehyde, AG-D-08655, 1-(2-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde, AC1Q4MYK, ACMC-2097vx, Ambcb4003866, CTK3J9923, MolPort-001-794-868, ACT10898, ANW-14491, SBB091092, ZINC02559672, AKOS000174409, AK-41367, BP-11102, KB-08382, QC-10216, 1-(2-fluorophenyl)pyrazole-4-carbaldehyde, AM20020084, FT-0687740

Molecular Formula: C10H7FN2OMolecular Weight: 190.173783 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NRBRIIOFOSVFQV-UHFFFAOYSA-N

• (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol
IUPAC Name: di(phenyl)-[(2R)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 22348-32-9
Synonyms: ZINC03632771

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-O

• 3,5-dicyanofluorobenzene
IUPAC Name: 5-fluorobenzene-1,3-dicarbonitrile | CAS Registry Number: 453565-55-4
Synonyms: 5-Fluoroisophthalonitrile, 1,3-dicyano-5-fluorobenzene, 5-fluorobenzene-1,3-dicarbonitrile, 5-fluoroisopthalonitrile, 5-fluoro-1,3-benzenedicarbonitrile, SBB064434, 1,3-Benzenedicarbonitrile, 5-fluoro-, ZINC00153468, fluoroisophthalonitrile, PubChem4391, AC1MD3QT, 5-Fluoroisophthalonitrile;, SureCN1421650, KSC493M8N, CTK3J3686, MolPort-000-155-622, ACT12641, ANW-45801, RW3562, TD1137

Molecular Formula: C8H3FN2Molecular Weight: 146.121223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJOYGTWYIUJJRU-UHFFFAOYSA-N

• 1,2-Diamino-4,5-Difluorobenzene
IUPAC Name: 4,5-difluorobenzene-1,2-diamine | CAS Registry Number: 76179-40-3
Synonyms: 1,2-Diamino-4,5-difluorobenzene, 4,5-difluorobenzene-1,2-diamine, 2-amino-4,5-difluorophenylamine, 4,5-Difluoro-1,2-phenylenediamine, 4,5-Difluoro-o-phenylenediamine, 4,5-Difluoro-benzene-1,2-diamine, SBB069965, AG-H-03910, ZINC02600068, PubChem4354, SureCN102552, AC1MC69I, KSC495S5N, ACMC-209p23, AC1Q513H, AC1Q513I, CTK3J5956, BUTTPARK 19\04-51, MolPort-001-771-219, WT209

Molecular Formula: C6H6F2N2Molecular Weight: 144.122046 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PPWRHKISAQTCCG-UHFFFAOYSA-N

• 4-Chloro-1,2-diamino-5-fluorobenzene
IUPAC Name: 4-chloro-5-fluorobenzene-1,2-diamine | CAS Registry Number: 139512-70-2
Synonyms: 4-chloro-5-fluorobenzene-1,2-diamine, 4-chloro-5-fluoro-O-phenylenediamine, 1,2-Diamino-4-chloro-5-fluorobenzene, SBB003959, 5-chloro-4-fluorobenzene-1,2-diamine, 132942-81-5, ZINC00152701, AC1LEGMH, ACMC-209cj7, SureCN404239, AC1Q513F, CTK4C1839, MolPort-000-141-631, ACT12726, ANW-20513, AKOS006227965, 1-Chloro-4,5-diamino-2-fluorobenzene, AG-D-79607, RP02151, 1,2-Benzenediamine,4-chloro-5-fluoro-

Molecular Formula: C6H6ClFN2Molecular Weight: 160.576643 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BSMPRJISGCTCDC-UHFFFAOYSA-N

• (3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid
IUPAC Name: 4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 1049978-45-1
Synonyms: (3S,4R)-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylic acid, SureCN1818895, (3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylicacid

Molecular Formula: C11H11Cl2NO2Molecular Weight: 260.116540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VKDXYQPZUWSCKU-UHFFFAOYSA-N

• 1-Methyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 1-methylpyrazole-4-carbaldehyde | CAS Registry Number: 25016-11-9
Synonyms: 654043_ALDRICH, ALBB-000101, ZINC00109495, Pyrazole-4-carboxaldehyde, 1-methyl-, 1-Methyl-1H-pyrazole-4-carboxaldehyde, EC-000.1271, TL8002040, A3290/0140006

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MYFZXSOYJVWTBL-UHFFFAOYSA-N

• 1,3-Bis(2,4-diaminophenoxy)propane hydrochloride
IUPAC Name: 4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;tetrahydrochloride | CAS Registry Number: 74918-21-1
Synonyms: 1,3-BIS(2,4-DIAMINOPHENOXY)PROPANE TETRAHYDROCHLORIDE, 1,3-Bis(2,4-diaminophenoxy)propane 4HCl, 4,4'-(Propane-1,3-diylbis(oxy))bis(benzene-1,3-diamine) tetrahydrochloride, SureCN1426505, KSC377C6P, CTK2H7167, MolPort-006-138-443, EINECS 278-022-7, ANW-73006, AKOS015895592, AG-G-98200, AK109178, I717, FT-0657692, ST51052907, A838262, 4,4'-(Propane-1,3-diylbis(oxy))bisbenzene-1,3-diamine tetrahydrochloride, 4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine tetrahydrochloride, 1,3-Benzenediamine,4,4'-[1,3-propanediylbis(oxy)]bis-, tetrahydrochloride (9CI);, 4-[3-[2,4-bis(azanyl)phenoxy]propoxy]benzene-1,3-diamine tetrahydrochloride

Molecular Formula: C15H24Cl4N4O2Molecular Weight: 434.188660 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 6

InChIKey: UXPUOLAAWYPPLE-UHFFFAOYSA-N

• (3S,4R)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid
IUPAC Name: (3S,4R)-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 1049975-91-8
Synonyms: (3S,4R)-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid, AG-D-18073, PubChem18493, AC1MC6BV, Trans-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid, SureCN1818587, CTK0G9270, SBB066829, AKOS015855843, AKOS015898173, KB-145780, FT-0654967, I11-0251, (3S,4R)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylicacid, 3-Pyrrolidinecarboxylicacid, 4-(2-fluorophenyl)-, (3S,4R)-

Molecular Formula: C11H12FNO2Molecular Weight: 209.216883 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YVTADGCUSGBFIQ-DTWKUNHWSA-N

• 1H-Pyrazole-4-Carboxylicacid,1,3-Dimethyl-(9CI)
IUPAC Name: 1,3-dimethylpyrazole-4-carboxylic acid | CAS Registry Number: 78703-53-4
Synonyms: BAS 04879380, ALBB-000137, ZERO/005394, STK292777, 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid, CID1273304

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YALJPBXSARRWTA-UHFFFAOYSA-N

• 1,2-Dibromotetrafluorobenzene
IUPAC Name: 1,2-dibromo-3,4,5,6-tetrafluorobenzene | CAS Registry Number: 827-08-7
Synonyms: 1,2-Dibromoperfluorobenzene, Benzene, 1,2-dibromotetrafluoro-, 100161_ALDRICH, NSC88296, EINECS 212-564-7, Benzene, 1,2-dibromo-3,4,5,6-tetrafluoro-, 1,2-Dibromo-3,4,5,6-tetrafluorobenzene, InChI=1/C6Br2F4/c7-1-2(8)4(10)6(12)5(11)3(1)

Molecular Formula: C6Br2F4Molecular Weight: 307.865813 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IPLUWQPTPKNBRD-UHFFFAOYSA-N

• 2H-Pyran-4-methanol, 4-aminotetrahydro-
IUPAC Name: (4-aminooxan-4-yl)methanol | CAS Registry Number: 720706-20-7
Synonyms: (4-Amino-tetrahydro-pyran-4-yl)-methanol, (4-aminooxan-4-yl)methanol, (4-AMINOTETRAHYDRO-2H-PYRAN-4-YL)METHANOL, AG-G-83239, (4-Amino-tetrahydro-2H-pyran-4-yl)methanol, AGN-PC-01U8HE, SureCN1350960, AC1Q50H2, CTK5D5494, MolPort-000-000-950, HT032, 4-AMINO-4-HYDROXYMETHYLOXANE, WTI-10244, AKOS005146209, MCULE-5523370445, PB27667, RP08630, 2H-Pyran-4-methanol,4-aminotetrahydro-, AK-40529, KB-37308

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

InChIKey: GICNBHGJGXBSBL-UHFFFAOYSA-N

• 1-Bromo-2,5-dichlorobenzene
IUPAC Name: 2-bromo-1,4-dichlorobenzene | CAS Registry Number: 1435-50-3
Synonyms: Benzene, brominated chlorinated, Benzene, 2-bromo-1,4-dichloro-, Benzene, brominated and chlorinated, EINECS 215-859-9, EINECS 271-525-2, 2-BROMO-1,4-DICHLOROBENZENE, ST5405430, InChI=1/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3, 68583-99-3

Molecular Formula: C6H3BrCl2Molecular Weight: 225.898020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OVXVQBCRONSPDC-UHFFFAOYSA-N

• 1-(2-Methoxyphenyl)-2-propylamine
IUPAC Name: 1-(2-methoxyphenyl)propan-2-amine | CAS Registry Number: 15402-84-3
Synonyms: 2-Methoxyamphetamine, o-Methoxyamphetamine, NDMP, N-Desmethylmethoxyphenamine, (d,l)-2-Methoxyamphetamine, o-Methoxy(phenylisopropyl)amine, 2-Methoxy(phenylisopropyl)amine, o-Methoxy-a-methylphenethylamine, AKE-BBV-051594, CHEBI:118121, MolPort-001-793-477, 2-Amino-1-(o-methoxyphenyl)propane, 1-(2-Methoxyphenyl)-2-aminopropane, 2-Amino-1-(2-methoxyphenyl)propane, CID159755, 2-(2-Methoxy-phenyl)-1-methyl-ethylamine, BBV-051594, Benzeneethanamine, 2-methoxy-alpha-methyl-, BAS 01920793, NCI60_000307

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VBAHFEPKESUPDE-UHFFFAOYSA-N

• 1,3,5-Tri-tert-butylbenzene
IUPAC Name: 1,3,5-tritert-butylbenzene | CAS Registry Number: 1460-02-2
Synonyms: 1,3,5-tritert-butylbenzene, 223778_ALDRICH, Benzene, 1,3,5-tri-tert-butyl-, Benzene, 1,3,5-tris(1,1-dimethylethyl)-, EINECS 215-952-4, ZINC02077478, 1,3,5-TRI(TERT-BUTYL)BENZENE, AI3-28799, ST5406478, AB-131/40897118, InChI=1/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H

Molecular Formula: C18H30Molecular Weight: 246.430800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GUFMBISUSZUUCB-UHFFFAOYSA-N

• 1-Benzyl-3-Aminomethylpyrrolidine
IUPAC Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]methylazanium | CAS Registry Number: 93138-61-5
Synonyms: ZINC04203928, CID7128400

Molecular Formula: C12H20N2+2Molecular Weight: 192.300600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: SUAKIVNGQVUKJA-LBPRGKRZSA-P

• (3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylic acid
IUPAC Name: (3S,4R)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 1049975-95-2
Synonyms: (3S,4R)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid, AG-D-18074, PubChem18495, Trans-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid, AC1MC6C1, SureCN1819072, CTK0G9269, SBB066826, AKOS015856101, AKOS015898147, KB-145790, FT-0656480, I11-0248, (3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylicacid, (3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylic acid;, 3-Pyrrolidinecarboxylicacid, 4-(3-fluorophenyl)-, (3S,4R)-

Molecular Formula: C11H12FNO2Molecular Weight: 209.216883 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NKGQZNWWPOLORG-VHSXEESVSA-N

• 1,2,3,4-Tetrafluorobenzene
IUPAC Name: 1,2,3,4-tetrafluorobenzene | CAS Registry Number: 551-62-2
Synonyms: TETRAFLUOROBENZENE, 1,2,3,4-TETRAFLUOROBENZENE, Benzene, 1,2,3,4-tetrafluoro-, T11630_ALDRICH, 2,3,4,5-Tetrafluorobenzene, NSC21635, EINECS 208-997-6, EINECS 248-779-8, TL8003603, 28016-01-5

Molecular Formula: C6H2F4Molecular Weight: 150.073693 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SOZFIIXUNAKEJP-UHFFFAOYSA-N

• 5-Hydroxymethyl-1-methyl-1H-imidazole
IUPAC Name: (3-methylimidazol-4-yl)methanol | CAS Registry Number: 38993-84-9
Synonyms: ZINC00158991, CID2773450, CC 23609

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PXGQMYCEAWZJJF-UHFFFAOYSA-N

• 1-(3-Fluorophenyl)-1H-Pyrazole-4-Carboxaldehyde
IUPAC Name: 1-(3-fluorophenyl)pyrazole-4-carbaldehyde | CAS Registry Number: 936940-82-8
Synonyms: 1-(3-Fluorophenyl)-1H-Pyrazole-4-Carbaldehyde, AG-H-82830, AC1Q4LK1, Ambcb4003862, CTK5H2836, MolPort-001-794-867, ANW-59191, ZINC02559671, AKOS005176420, MCULE-9030105854, AK-43978, KB-08743, 1-(3-fluorophenyl)pyrazole-4-carbaldehyde, AM20041428, FT-0688798, ST51064249, I14-11546, I14-13049

Molecular Formula: C10H7FN2OMolecular Weight: 190.173783 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FKZJADFSOBJBNG-UHFFFAOYSA-N

• (R)-3-Hydroxypyrrolidine
IUPAC Name: (3R)-pyrrolidin-1-ium-3-ol | CAS Registry Number: 2799-21-5
Synonyms: ZINC02140994, CID6992365

Molecular Formula: C4H10NO+Molecular Weight: 88.128300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JHHZLHWJQPUNKB-SCSAIBSYSA-O

• (3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid
IUPAC Name: (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 1049980-13-3
Synonyms: (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid, PubChem18568, AC1MC6H6, SureCN1817783, CTK4A3554, AG-D-18086

Molecular Formula: C13H17NO4Molecular Weight: 251.278380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FBFGHGLKHHVFCD-NWDGAFQWSA-N

• 1,3-Dihydroisobenzofuran-5-Ylamine
IUPAC Name: 1,3-dihydro-2-benzofuran-5-amine | CAS Registry Number: 61964-08-7
Synonyms: 1,3-dihydroisobenzofuran-5-amine, 1,3-Dihydroisobenzofuran-5-ylamine, 1,3-dihydro-isobenzofuran-5-ylamine, 5-Amino-1,3-dihydrobenzo[c]furan, 1,3-Dihydro-2-benzofuran-5-amine, AG-G-26724, SureCN892296, CTK5B4100, MolPort-001-794-973, 5-Isobenzofuranamine,1,3-dihydro-, ANW-53951, SBB085896, ZINC02559710, AKOS004911157, AC-4773, CC77214, HF11374, AK-45239, AM804142, KB-86415

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GKULNTLNUHOMGD-UHFFFAOYSA-N

• 1-Allyl-1H-indole-2,3-dione
IUPAC Name: 1-prop-2-enylindole-2,3-dione | CAS Registry Number: 830-74-0
Synonyms: 1-allyl-1H-indole-2,3-dione, ZINC02026703, SBB006834, CID1713563, GL-0483, AH-357/04340008

Molecular Formula: C11H9NO2Molecular Weight: 187.194660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWNYDPBLEDGGQD-UHFFFAOYSA-N

• (S)-4-Amino-3-phenylbutanoic acid
IUPAC Name: (3S)-4-amino-3-phenylbutanoic acid | CAS Registry Number: 62596-63-8
Synonyms: (S)-4-AMINO-3-PHENYLBUTANOIC ACID, PubChem18290, AC1LEG2U, SureCN9545047, UNII-89O32FJ0DL, CTK5B5360, (+)-4-Amino-3-phenylbutanoic acid, ANW-65812, (3S)-4-amino-3-phenylbutanoic acid, 4-Amino-3-phenylbutyric acid, (S)-, AG-G-30138, AK-87534, KB-211530, Benzenepropanoic acid, beta-(aminomethyl)-, (betaS)-

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DAFOCGYVTAOKAJ-SECBINFHSA-N

• 3,4-Pyrrolidinediol, Hydrochloride (1:1), (3S,4S)-
IUPAC Name: (3S,4S)-pyrrolidine-3,4-diol;hydrochloride | CAS Registry Number: 276862-76-1
Synonyms: (3S,4S)-PYRROLIDINE-3,4-DIOL HYDROCHLORIDE, SureCN743531, AKOS016010059, AK115737, KB-207638, FT-0689569

Molecular Formula: C4H10ClNO2Molecular Weight: 139.580700 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: VADWFRGDDJHKNB-MMALYQPHSA-N

• 2-(tert-Butoxycarbonylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate | CAS Registry Number: 98569-12-1
Synonyms: ZINC01081330, ZINC04262326, CID7157174

Molecular Formula: C16H20NO4-Molecular Weight: 290.334300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DSDQZWPRZHNCIX-INIZCTEOSA-M

• 2,3-Diamino-6-Fluorotoluene
IUPAC Name: 4-fluoro-3-methylbenzene-1,2-diamine | CAS Registry Number: 485832-95-9
Synonyms: 1,2-Diamino-3-methyl-4-fluorobenzene, 4-Fluoro-3-methylbenzene-1,2-diamine, 1,2-Benzenediamine, 4-fluoro-3-methyl-, PubChem4361, SureCN1085636, CTK1D5694, MolPort-002-317-237, WT048, ACT12624, 2,3-DIAMINO-6-FLUOROTOLUENE, ANW-46752, SBB069924, ZINC14985731, AKOS005063617, AG-F-64440, AM62008, AS00448, LS10773, QC-9705, 1,2-Diamino-3-methyl-4-fluorobenzene;

Molecular Formula: C7H9FN2Molecular Weight: 140.158163 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PSGAKWLMABPVAC-UHFFFAOYSA-N

• 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate | CAS Registry Number: 138647-49-1
Synonyms: N-Boc-4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine, 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl-trifluoromethanesulfonate, AG-D-78097, 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate, TERT-BUTYL 4-[(TRIFLUOROMETHYL)SULFONYLOXY]-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE, 4-[(Trifluoromethylsulfonyl)oxy]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester, 1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-4-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester, 4-TRIFLUOROMETHANESULFONYLOXY-3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, ACMC-20efyq, PubChem20998, CTK4C1340, MolPort-003-986-402, AKOS005762919, MO07986, PB13226, QC-2644, Tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate, AK-33210, BR-33210, KB-09657

Molecular Formula: C11H16F3NO5SMolecular Weight: 331.308650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: WUBVEMGCQRSBBT-UHFFFAOYSA-N

• (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid
IUPAC Name: 4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 937692-64-3
Synonyms: SureCN1814780, AKOS013253378, A11038, 4-(3-methoxyphenyl)-3-pyrrolidinecarboxylic acid, 4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid, A801136, (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylicacid

Molecular Formula: C12H15NO3Molecular Weight: 221.252400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DPBJZZNRRNSKIH-UHFFFAOYSA-N

• 1-Ethyl-1H-Pyrazole-5-Carboxaldehyde
IUPAC Name: 2-ethylpyrazole-3-carbaldehyde | CAS Registry Number: 902837-62-1
Synonyms: 1-ethyl-1H-pyrazole-5-carbaldehyde, 1-ethyl-1h-pyrazole-5-carboxaldehyde, 1-ethylpyrazole-5-carbaldehyde, 2-Ethyl-2H-pyrazole-3-carbaldehyde, SBB020583, AG-H-69935, ZINC02384488, 2-ethylpyrazole-3-carbaldehyde, AC1Q318N, CTK5G7610, MolPort-000-140-128, STK312815, 2-ethyl-2 h-pyrazole-3-carbaldehyde, AKOS000308245, 2-Ethyl-2 H -pyrazole-3-carbaldehyde, AB13772, MCULE-7877231011, RP19586, 1-ETHYLPYRAZOLE-5-CARBOXALDEHYDE, AK139945

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SKUJVOCRQZNYEX-UHFFFAOYSA-N

• 4-Fluoro-2-(trifluoromethyl)phenylhydrazine
IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]hydrazine | CAS Registry Number: 754973-91-6
Synonyms: 4-FLUORO-2-(TRIFLUOROMETHYL)PHENYLHYDRAZINE, AG-H-00919, [4-fluoro-2-(trifluoromethyl)phenyl]hydrazine, ZINC02243107, PubChem3339, AC1MCOYK, AC1Q552W, CTK5E1633, AKOS006281862, KB-191389, Hydrazine,[4-fluoro-2-(trifluoromethyl)phenyl]-, 1-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE

Molecular Formula: C7H6F4N2Molecular Weight: 194.129553 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KWDCHZMMHDGSMD-UHFFFAOYSA-N

• (R)-4-Amino-3-p-tolylbutanoic acid
IUPAC Name: (3R)-4-amino-3-(4-methylphenyl)butanoic acid | CAS Registry Number: 67112-56-5
Synonyms: (3r)-4-amino-3-(4-methylphenyl)butanoic acid, AC1LGGSI, PubChem18295, AC1Q5T38, CTK2F1744, KST-1A7420, AR-1A4316, AKOS006318675, CA-2042, (R)-4-amino-3-(p-tolyl)butanoic acid, 3B1-007199

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

InChIKey: MSZRPURXKHMSFF-JTQLQIEISA-N

• 3-Amino-3-phenylpropanoic acid
IUPAC Name: 3-amino-3-phenylpropanoic acid | CAS Registry Number: 614-19-7
Synonyms: DL-beta-Phenylalanine, 3-Phenyl-beta-alanine, 3A3PPA, beta-Phenyl-beta-alanine, DL-beta-Homophenylglycine, CBMicro_033522, beta-Aminohydrocinnamic acid, 3-Amino-3-phenylpropionic acid, Benzenepropanoic acid, 3-amino-, 159492_ALDRICH, dl-3-Amino-3-phenylpropionic acid, 71552_FLUKA, ZERO/001726, -3-Amino-3-phenylpropionic acid, NSC1979, dl-.beta.-Phenyl-.beta.-alanine, Benzenepropanoic acid, beta-amino-, NSC32026, ()-3-Amino-3-phenylpropionic acid, EINECS 210-371-2

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

InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N

• 4-Fluorophthalodinitrile
IUPAC Name: 4-fluorobenzene-1,2-dicarbonitrile | CAS Registry Number: 65610-14-2
Synonyms: 4-Fluorophthalonitrile, 47410_ALDRICH, 47410_FLUKA, ZINC00388693, CID103423, LS-29689, LT03510326

Molecular Formula: C8H3FN2Molecular Weight: 146.121223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QQEKYCCJLSRLEC-UHFFFAOYSA-N


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