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• 2,6-Difluoro-DL-phenylalanine
IUPAC Name: 2-amino-3-(2,6-difluorophenyl)propanoic acid | CAS Registry Number: 33787-05-2
Synonyms: 2,6-difluoro-dl-phenylalanine, 2-amino-3-(2,6-difluorophenyl)propanoic Acid, 32133-39-4, 2,6-difluorophenylalanine, d,l-2,6-difluorophenyl-alanine, 2-amino-3-(2,6-difluoro-phenyl)-propionic acid, ST024946, dl-2,6-Difluorophenylalanine, PubChem8477, SureCN188587, AC1MC6P7, CTK7D4115, MolPort-000-154-468, MolPort-003-990-748, H-DL-PHE(2,6-F2)-OH, ANW-63267, SBB000398, AKOS000179016, AB02426, AG-B-84551

Molecular Formula: C9H9F2NO2Molecular Weight: 201.170066 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RFOVYDPRGDZBLJ-UHFFFAOYSA-N

• 1-(Phenylsulfonyl)indole
IUPAC Name: 1-phenylsulfonylindole | CAS Registry Number: 40899-71-6
Synonyms: 1-(Phenylsulfonyl)-1H-indole, CBDivE_002895, MLS000104364, 366633_ALDRICH, ARONIS001276, IFLab1_005965, NSC683530, AIDS149292, AIDS-149292, NSC237040, IDI1_011368, SMR000054299, ST039848, AG-690/12868319

Molecular Formula: C14H11NO2SMolecular Weight: 257.307640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VDWLCYCWLIKWBV-UHFFFAOYSA-N

• 2,4(1H,3H)-Quinazolinedione, 6-bromo-
IUPAC Name: 6-bromo-1H-quinazoline-2,4-dione | CAS Registry Number: 88145-89-5
Synonyms: 6-Bromo-2,4(1H,3H)-quinazolinedione, 6-Bromoquinazoline-2,4(1H,3H)-dione, 6-bromo-1H-quinazoline-2,4-dione, 6-Bromoquinazoline-2,4-dione, AG-H-55314, 6-bromo-1,3-dihydroquinazoline-2,4-dione, 6-BROMO-1H,3H-QUINAZOLINE-2,4-DIONE, bromoquinazolinedione, ZINC00341758, PubChem20961, ACMC-209qre, AC1LDFO7, SureCN182445, SureCN3498669, 6-bromoquinazoline-2,4-diol, KSC495M0P, CTK3J5607, CTK5I8094, MolPort-001-757-526, ANW-38952

Molecular Formula: C8H5BrN2O2Molecular Weight: 241.041500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JZDVFUAHGLJVQG-UHFFFAOYSA-N

• 4-Hydroxy-2,6-dimethoxybenzaldehyde
IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde | CAS Registry Number: 22080-96-2
Synonyms: 392936_ALDRICH, ZINC02379824, 2,6-Dimethoxy-4-hydroxybenzaldehyde, CID529894, SBB008640, FR-2359, Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl), InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HZWPJAZIRZFCGX-UHFFFAOYSA-N

• 1-Piperidinecarboxylic Acid, 4-(aminomethyl)-4-Hydroxy-, 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate | CAS Registry Number: 392331-66-7
Synonyms: tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate, 1-Boc-4-(Aminomethyl)-4-hydroxypiperidine, SBB070602, tert-butyl 4-(aminomethyl)-4-hydroxypiperidinecarboxylate, tert-butyl4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate, TERT-BUTYL 4-(AMINOMETHYL)-4-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE, SureCN154164, CTK1C0756, MolPort-008-480-994, ANW-50253, AKOS005072629, AG-B-52409, MCULE-8769053369, PB22516, RP13258, AK-31519, BR-31519, KB-204696, 4-AMINOMETHYL-1-BOC-PIPERIDIN-4-OL, A6574

Molecular Formula: C11H22N2O3Molecular Weight: 230.303980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XYWCDAFPRBDRER-UHFFFAOYSA-N

• 2-Fluoro-L-Phe
IUPAC Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid | CAS Registry Number: 19883-78-4
Synonyms: Fluorophenylalanine, L-2-Fluorophenylalanine, o-Fluoro-L-phenylalanine, 2-Fluoro-L-phenylalanine, dl-beta-o-Fluorophenylalanine, 47296_FLUKA, CID716319, AL007-1, TL8001636, A00192, 3S211015, 2629-55-2

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

InChIKey: NYCRCTMDYITATC-QMMMGPOBSA-N

• 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde
IUPAC Name: 5-methoxy-2-nitro-4-phenylmethoxybenzaldehyde | CAS Registry Number: 2426-84-8
Synonyms: 5-methoxy-2-nitro-4-phenylmethoxybenzaldehyde, 5-methoxy-2-nitro-4-phenylmethoxy-benzaldehyde, ZINC00454195, AC1LBO70, AC1Q20LU, Oprea1_200122, Oprea1_614756, CTK1A1563, MolPort-002-202-584, AC1Q4771, AR-1F6669, AKOS000322096, AG-E-71835, MCULE-4593218190, KB-187422, FT-0634266, Benzaldehyde, 4-benzyloxy-5-methoxy-2-nitro-, EN300-24099, A00121, Benzaldehyde, 4-benzyloxy-5-methoxy-2-nitro-;

Molecular Formula: C15H13NO5Molecular Weight: 287.267420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WKDLWHKMVQVRNO-UHFFFAOYSA-N

• (S)-(+)-3,4,8,8a-Tetrahydro-8a-Methyl-1,6(2h,7h)-Naphthalenedione
IUPAC Name: 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione | CAS Registry Number: 33878-99-8
Synonyms: Wieland-Michler ketone, Miescher-Wieland ketone, Wieland-Miescher ketone, M65157_ALDRICH, NSC87581, CID89262, EINECS 243-463-6, LT00233231, 9-(S)-Methyl-.delta.-5(10)-octalin-1,6-dione, 9(S)-Methyl-delta-5(10)-octalin-1,6-dione, (+/-)-9-Methyl-5(10)-octaline-1,6-dione, 8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone, 3,4,8,8a-Tetrahydro-8a-methyl-(2H,7H)naphthalene-1,6-dione, 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-, (+/-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 20007-72-1

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DNHDRUMZDHWHKG-UHFFFAOYSA-N

• 4-(4-Fluorophenyl)-4-Hydroxy Piperidine
IUPAC Name: 4-(4-fluorophenyl)piperidin-4-ol | CAS Registry Number: 3888-65-1
Synonyms: Oprea1_106808, NSC90449, 4-(4-fluorophenyl)-4-piperidinol, 4-(4-Fluorophenyl)piperidin-4-ol, CID77497, EINECS 223-431-8, 4-Piperidinol, 4-(4-fluorophenyl)-, AI3-62375, A00146, AE-641/30110032

Molecular Formula: C11H14FNOMolecular Weight: 195.233363 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QXWRXWPNHLIZBV-UHFFFAOYSA-N

• 4-[(1S)-1-Aminoethyl]phenol
IUPAC Name: 4-[(1S)-1-aminoethyl]phenol | CAS Registry Number: 134855-89-3
Synonyms: 221670-72-0, SureCN2032476, MolPort-004-747-007, Phenol,4-[(1S)-1-aminoethyl]-, KB-79940, KB-188430, FT-0602205, A00152, I14-37425

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CDQPLIAKRDYOCB-LURJTMIESA-N

• 3,4-Difluoro-L-Phenylalanine
IUPAC Name: (2S)-2-amino-3-(3,4-difluorophenyl)propanoic acid | CAS Registry Number: 31105-90-5
Synonyms: L-3,4-Difluorophenylalanine, CID716295, AL176-1, 2-amino-3-(3,4-difluorophenyl)propanoic Acid

Molecular Formula: C9H9F2NO2Molecular Weight: 201.170066 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PRAWYXDDKCVZTL-QMMMGPOBSA-N

• 3-bromo-7-nitro-1h-indole
IUPAC Name: 3-bromo-7-nitro-1H-indole | CAS Registry Number: 397864-11-8
Synonyms: 3-Bromo-7-nitroindole, 3-BROMO-7-NITRO-1H-INDOLE, AGN-PC-01LRAX, SureCN6090060, 1H-Indole,3-bromo-7-nitro-, 1H-Indole, 3-bromo-7-nitro-, CTK4I1890, MolPort-003-984-704, ZINC02583878, AKOS015904635, AB12572, AG-F-40616, KB-30521, AB1000736, KB-235313, UX00000072, I00055, I14-17441

Molecular Formula: C8H5BrN2O2Molecular Weight: 241.041500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZJCDMQUXOJHHBJ-UHFFFAOYSA-N

• (-)-1-[(4-Chlorophenyl)Phenylmethyl]Piperazine
IUPAC Name: 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine | CAS Registry Number: 300543-56-0
Synonyms: (R)-1-((4-chlorophenyl)(phenyl)methyl)piperazine, (R)-(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine, AC1LDKOF, PubChem12294, (R)-1-[(4-Chlorophenyl)phenylmethyl]piperazine, SureCN588655, PIP096, CTK8B8565, MolPort-016-965-514, ANW-60706, (R)-1-(p-Chlorobenzhydryl)piperazine, AKOS015900420, AKOS016016508, AK-81977, KB-151318, KB-209399, A5547, FT-0604324, 1-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazine, 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine

Molecular Formula: C17H19ClN2Molecular Weight: 286.799160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UZKBSZSTDQSMDR-QGZVFWFLSA-N

• 3-Fluoro-4-Hydroxy Acetophenone
IUPAC Name: 1-(3-fluoro-4-hydroxyphenyl)ethanone | CAS Registry Number: 403-14-5
Synonyms: ZINC02558780, 1-(3-fluoro-4-hydroxyphenyl)ethanone, 3X-0862, AN-651/43112602

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GSWTXZXGONEVJC-UHFFFAOYSA-N

• 3-Cyclopentyloxy-4-methoxybenzaldehyde
IUPAC Name: 3-cyclopentyloxy-4-methoxybenzaldehyde | CAS Registry Number: 67387-76-2
Synonyms: 3-(Cyclopentyloxy)-4-methoxybenzaldehyde, 3-cyclopentyloxy-4-methoxybenzaldehyde, ST50825709, ZINC00164890, AC1MC4CS, AC1Q4CCJ, Oprea1_216715, CTK7A7343, MolPort-000-146-189, 2-(Cyclopentyloxy)-4-formylanisole, SBB079119, AKOS000194565, AG-A-53695, AG-L-63749, MCULE-4469488612, QC-2691, (5-Formyl-2-methoxyphenoxy)cyclopentane, 3-cyclopentyloxy-4-methoxy benzaldehyde, KB-86724, 3-(CyclopentYl-Oxy)-4-Methoxybenzaldehyde

Molecular Formula: C13H16O3Molecular Weight: 220.264340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FZFWPURYSWKIRT-UHFFFAOYSA-N

• 3-Fluoro-L-Phe
IUPAC Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid | CAS Registry Number: 19883-77-3
Synonyms: m-Fl-phenylalanine, 3-Fluoro-L-phenylalanine, m-Fluoro-phenylalanine, FL-PHE, m-Fluoro-L-phenylalanine, 47306_FLUKA, AIDS070047, AIDS-070047, AL013-1, TL8001635, A00194, 456-88-2

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

InChIKey: VWHRYODZTDMVSS-QMMMGPOBSA-N

• 2-Chloro-6-Methyl-5-Nitro-4(1h)-Pyramidinone
IUPAC Name: 2-chloro-6-methyl-5-nitro-1H-pyrimidin-4-one | CAS Registry Number: 65224-66-0
Synonyms: 2-Chloro-6-methyl-5-nitropyrimidin-4(1H)-one, 2-CHLORO-6-METHYL-5-NITRO-4(1H)-PYRIMIDINONE, CTK8B7614, MolPort-009-198-213, ANW-57930, AKOS006278388, AKOS016001389, RP24926, AK-24621, KB-22742, 2-Chloro-6-methylnitro-4(1H)-pyrimidinone, FT-0694496, H00024

Molecular Formula: C5H4ClN3O3Molecular Weight: 189.556560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GNXOLOBSWUZOEF-UHFFFAOYSA-N

• 2',3',5'-Triacetylguanosine
IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(acetyloxymethyl)-2-(2-amino-6-oxo-3H-purin-9-yl)oxolan-3-yl] acetate | CAS Registry Number: 6979-94-8
Synonyms: Triacetylguanosine, Guanosine 2',3',5'-triacetate, 850926_ALDRICH, STOCK1N-44678, 2',3',5'-Tri-O-acetylguanosine, CID65173, EINECS 230-242-4, NSC 66387, ZINC04261902, SR-01000088759-2

Molecular Formula: C16H19N5O8Molecular Weight: 409.350760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ULXDFYDZZFYGIY-SDBHATRESA-N

• 4,5,6,7-Tetrahydro-Thiazolo[5,4-C]pyridin-2-Amine Dihydrochloride
IUPAC Name: 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride | CAS Registry Number: 17899-47-7
Synonyms: 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridin-2-amine dihydrochloride, CTK8B7844, MolPort-016-965-544, ANW-58755, AKOS016001997, AK-68069

Molecular Formula: C6H11Cl2N3SMolecular Weight: 228.142640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: BSXVWJONYVJIJE-UHFFFAOYSA-N

• [(3s)-(3-1,2,3,4-Tetrahydroisoquinolyl)]-N-(tert-butyl)carboxamide
IUPAC Name: (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide | CAS Registry Number: 149182-72-9
Synonyms: ZINC00057121, CID6921688

Molecular Formula: C14H21N2O+Molecular Weight: 233.329340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: DMJXRYSGXCLCFP-LBPRGKRZSA-O

• (S)-(+)-2,3,7,7a-Tetrahydro-7a-Methyl-1h
IUPAC Name: (7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione | CAS Registry Number: 17553-86-5
Synonyms: (S)-Hajos dione, (S)-Hajos ketone, (S)-Hajos-Wiechert ketone, 664073_ALDRICH, ZINC00162727, (S)-(+)-Hajos-Parrish diketone, CID736943, (+)-5,6,7,8-Tetrahydro-8-methylindan-1,5-dione, (+)-7,7a-Dihydro-7alpha, beta-methyl-1,5(6H)-indandione, (S)-(+)-2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FNYAZSZTENLTRT-JTQLQIEISA-N

• 3-chloro-4-methoxybenzylamine hydrochloride
IUPAC Name: (3-chloro-4-methoxyphenyl)methylazanium | CAS Registry Number: 41965-95-1
Synonyms: ZINC00170050, CID4452851

Molecular Formula: C8H11ClNO+Molecular Weight: 172.632040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OCNMSDZALRAYEX-UHFFFAOYSA-O

• 2-Chloro benzaldehyde Oxime
IUPAC Name: N-[(2-chlorophenyl)methylidene]hydroxylamine | CAS Registry Number: 3717-28-0
Synonyms: o-Chlorobenzaldoxime, 2-Chlorobenzaldoxime, o-Chlorobenzaldehyde oxime, Benzaldehyde, o-chloro-, oxime, Benzaldehyde, 2-chloro-, oxime, NSC61415

Molecular Formula: C7H6ClNOMolecular Weight: 155.581640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FZIVKDWRLLMSEJ-UHFFFAOYSA-N

• 1-(P-Hydroxyphenyl)Ethylamine
IUPAC Name: 4-(1-aminoethyl)phenol | CAS Registry Number: 134855-87-1
Synonyms: 4-(1-Aminoethyl)phenol, Gpl X1 glycopeptidolipid, Phenol, 4-(1-aminoethyl)-, 1-(p-Hydroxyphenyl)ethylamine, AKE-BBV-156969, CID123594, BBV-156969, FR-2083, LS-103896, C-01529, C03473

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CDQPLIAKRDYOCB-UHFFFAOYSA-N

• 1-Ethyl-3(3-Dimethylamino)urea
IUPAC Name: 1-[3-(dimethylamino)propyl]-3-ethylurea | CAS Registry Number: 32897-26-0
Synonyms: 1-[3-(dimethylamino)propyl]-3-ethylurea, AC1N5K0L, AC1Q31E5, MolPort-001-817-666, AKOS015899888, AM20090491, BB 0262679, FT-0607743, Urea, N-[3-(dimethylamino)propyl]-N'-ethyl, 1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLUREA, I14-11054

Molecular Formula: C8H19N3OMolecular Weight: 173.255960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NGJUYARYEXGDNN-UHFFFAOYSA-N

• (+)-(3R,4R)-3,4-Dimethyl-4-(3-hydroxyphenyl) piperidine
IUPAC Name: 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol | CAS Registry Number: 119193-19-0
Synonyms: (3R,4R)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE, (+)-(3R,4R)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE, AG-D-41906, 3-((3R,4R)-3,4-diMethylpiperidin-4-yl)phenol, 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol, PubChem23477, Phenol,3-[(3R,4R)-3,4-dimethyl-4-piperidinyl]-, SureCN1477254, KSC511C2F, CTK4B1122, MolPort-001-770-716, ACT07654, ANW-48618, OR9963, RW3960, AKOS015901845, AKOS016015268, AK-44936, BR-44936, KB-00118

Molecular Formula: C13H19NOMolecular Weight: 205.296060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HXZDAOSDNCHKFE-GXFFZTMASA-N

• 5-Chloro-1,2,4-Triazolo[4,3-A]pyridine
IUPAC Name: 5-chloro-[1,2,4]triazolo[4,3-a]pyridine | CAS Registry Number: 27187-13-9
Synonyms: NSC289808, CID324440, ZINC01565409, C3611G1

Molecular Formula: C6H4ClN3Molecular Weight: 153.569060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FBQZXTMUYNKLRF-UHFFFAOYSA-N

• (S)-3-Amino-1-benzyl-piperidine
IUPAC Name: (3S)-1-benzylpiperidin-3-amine | CAS Registry Number: 168466-85-1
Synonyms: (S)-1-BENZYL-3-AMINOPIPERIDINE, (S)-3-Amino-1-benzylpiperidine, (3S)-1-benzylpiperidin-3-amine, (S)-N-Benzyl-3-amino-piperidine, AG-E-17805, (S)-1-benzylpiperidin-3-amine, (S)-3-Amino-1-benzyl-piperdine, PubChem11490, AC1LGZ0I, SureCN3023682, CTK4D3002, MolPort-000-861-524, ACT09088, ANW-22347, AKOS000278314, AB13234, RP25007, (S)-3-AMINO-N-BENZYLPIPERIDINE, (3S)-3-AMINO-1-BENZYLPIPERIDINE, AK-44566

Molecular Formula: C12H18N2Molecular Weight: 190.284720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HARWNWOLWMTQCC-LBPRGKRZSA-N

• 5,6-Dihydro-8H-imidazo[2,1-c][1,4]oxazine-2-carboxaldehyde
IUPAC Name: 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbaldehyde | CAS Registry Number: 623564-42-1
Synonyms: 6,8-Dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbaldehyde, CTK2C1663, MolPort-004-766-588, ANW-71195, AKOS016007961, AG-G-28899, AK104576, KB-196307, 5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazine-2-carbaldehyde, 5,6-Dihydro-8H-imidazo[2,1-c] [1,4] oxazine-2-carboxaldehyde, 8H-Imidazo[2,1-c][1,4]oxazine-2-carboxaldehyde, 5,6-dihydro-

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BQGZMWAWDNEWGS-UHFFFAOYSA-N

• 4-pyrrolidin-1-yl-phenylamine
IUPAC Name: 4-pyrrolidin-1-ylaniline | CAS Registry Number: 2632-65-7
Synonyms: Oprea1_595659, Oprea1_774483, 4-Pyrrolidin-1-yl-phenylamine, ZINC00319800, ALBB-005642, CID808841, SBB009578, 4-pyrrolidin-1-ylaniline dihydrochloride, BAS 01890970, BAS 10146042

Molecular Formula: C10H14N2Molecular Weight: 162.231560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: URAARCWOADCWLA-UHFFFAOYSA-N

• 3-((benzyloxy)methyl)cyclobutanone
IUPAC Name: 3-(phenylmethoxymethyl)cyclobutan-1-one | CAS Registry Number: 172324-67-3
Synonyms: 3-((Benzyloxy)methyl)cyclobutanone, 3-[(Benzyloxy)methyl]cyclobutanone, AGN-PC-00GTMD, SureCN337537, 3-(benzyloxymethyl)cyclobutanone, CTK4D4196, ANW-57592, AKOS006331718, AG-E-21610, PB17594, AK-63816, Cyclobutanone,3-[(phenylmethoxy)methyl]-, Cyclobutanone, 3-[(phenylmethoxy)methyl]-, KB-232341, 3-[(BENZYLOXY)METHYL]CYCLOBUTAN-1-ONE, 3-[(PHENYLMETHOXY)METHYL]-CYCLOBUTANONE, K00012, M111085

Molecular Formula: C12H14O2Molecular Weight: 190.238360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FHBBBGYOVFMVIB-UHFFFAOYSA-N

• 3-Methyl-3-(4-methylphenyl)buranoic acid
IUPAC Name: 3-methyl-3-(4-methylphenyl)butanoate | CAS Registry Number: 42288-08-4
Synonyms: ZINC02518298, CID7015870

Molecular Formula: C12H15O2-Molecular Weight: 191.246300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LXMASNUOAKLCJK-UHFFFAOYSA-M

• 4,6-Dimethoxysalicylaldehyde
IUPAC Name: 2-hydroxy-4,6-dimethoxybenzaldehyde | CAS Registry Number: 708-76-9
Synonyms: 4,6-Dimethoxy-2-hydroxybenzaldehyde, 138797_ALDRICH, EINECS 211-904-1, 2-Hydroxy-4,6-dimethoxybenzaldehyde, 2,4-Dimethoxy-6-hydroxybenzaldehyde, ZINC00155425, 2-hydroxy-4,6-bis(methyloxy)benzaldehyde, LS-184895, ST5307502, 2-HYDROXY-4,6-DIMETHOXY BENZALDEHYDE

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FQRQWPNYJOFDLO-UHFFFAOYSA-N

• 1-(boc-amino)cyclopentanecarboxylic Acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate | CAS Registry Number: 35264-09-6
Synonyms: ZINC04202565, CID7128354

Molecular Formula: C11H18NO4-Molecular Weight: 228.264920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YBZCSKVLXBOFSL-UHFFFAOYSA-M

• 4-Chloro Acetyl Catechol
IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone | CAS Registry Number: 99-40-1
Synonyms: 4-(Chloroacetyl)catechol, 2-Chloro-3',4'-dihydroxyacetophenone, C34405_ALDRICH, 3,4-Dihydroxyphenacyl chloride, ARK076, 4-(CHLORACETAL)CATECHOL, CHEBI:51844, NSC13905, NSC17869, EINECS 202-754-8, Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-, STK077070, ZINC01592068, .alpha.-Chloro-3,4-dihydroxyacetophenone, 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone, chloromethyl 3,4-dihydroxyphenyl ketone, Acetophenone, 2-chloro-3',4'-dihydroxy-, AI3-25258, .alpha.-Chloro-3',4'-dihydroxyacetophenone, InChI=1/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N

• (2-Hydroxy-Ethyl)-Phenyl-Carbamic Acid Tert-Butyl Ester
IUPAC Name: tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate | CAS Registry Number: 121492-10-2
Synonyms: Carbamic acid,(2-hydroxyethyl)phenyl-, 1,1-dimethylethyl ester (9CI), SureCN1624311, ACMC-1C92M, CTK4B2388, MolPort-005-942-219, ZINC02518256, AG-D-46614, MCULE-9417871463, AK-55280, tert-Butyl (2-hydroxyethyl)(phenyl)carbamate, A00111, N-(tert-Butoxycarbonyl)-N-(2-hydroxyethyl)aniline, T6768878, (2-HYDROXY-ETHYL)-PHENYL-CARBAMIC ACID TERT-BUTYL ESTER

Molecular Formula: C13H19NO3Molecular Weight: 237.294860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYRDREFSISCMKG-UHFFFAOYSA-N

• 1-(4-amino-phenyl)-piperazine-4-carboxylic Acid Tert-butyl Ester
IUPAC Name: tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate | CAS Registry Number: 170911-92-9
Synonyms: Tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate, 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester, 1-BOC-4-(4-AMINOPHENYL)PIPERAZINE, 4-(4-Boc-piperazin-1-yl)aniline, 1-Boc-4-(4'-Aminophenyl)piperazine, AG-E-20182, PubChem12198, SureCN55667, ACMC-209e1v, CTK4D3748, MolPort-003-823-823, ANW-22481, ZINC02527253, AKOS009506204, RP29769, AK-21754, AM803321, BR-21754, EN000323, KB-61143

Molecular Formula: C15H23N3O2Molecular Weight: 277.362020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RXFHRKPNLPBDGE-UHFFFAOYSA-N

• 2-Chloro-5'-Difluoroacetophenone
IUPAC Name: 2-chloro-1-(3-fluorophenyl)ethanone | CAS Registry Number: 53688-18-9
Synonyms: 2-Chloro-1-(3-fluorophenyl)ethanone, 2-Chloro-5'-fluoroacetophenone, m-Fluorophenacyl Chloride, 3-Fluorophenacyl Chloride, |A-Chloro-3'-fluoroacetophenone, CTK8F4167, MolPort-004-760-313, 3'-FLUOROPHENACYL CHLORIDE, ACT12889, SBB064457, ZINC39054868, AKOS010996523, 2-CHLORO-3'-FLUOROACETOPHENONE, AG-F-84808, AM62021, AS04006, AK113222, Ethanone, 2-chloro-1-(3-fluorophenyl)-, KB-22478, FT-0659517

Molecular Formula: C8H6ClFOMolecular Weight: 172.584043 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XGRNMEBMWPBPRT-UHFFFAOYSA-N

• 3,5-Dibenzyloxybenzyl alcohol
IUPAC Name: [3,5-bis(phenylmethoxy)phenyl]methanol | CAS Registry Number: 24131-31-5
Synonyms: 519200_ALDRICH, Benzyl alcohol, 3,5-dibenzyloxy-, Benzoic alcohol, 3,5-dibenzyloxy-, ZINC00403384, ST5405905

Molecular Formula: C21H20O3Molecular Weight: 320.381700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MHHXKZKHZMSINU-UHFFFAOYSA-N

• 3-Methoxy-L-Phenylalanine
IUPAC Name: (2S)-2-amino-3-(3-methoxyphenyl)propanoic acid | CAS Registry Number: 33879-32-2
Synonyms: (S)-2-Amino-3-(3-methoxyphenyl)propionic acid, (S)-2-Amino-3-(3-methoxy-phenyl)-propionic acid, PubChem18018, SureCN146611, L-3-MEO-PHE-OH, L-M-TYR(ME), L-Phenylalanine,3-methoxy-, H-PHE(3-OME)-OH, L-PHE(3-OME)-OH, L-3-METHOXYPHENYLALANINE, CTK4H1380, M-METHOXY-L-PHENYLALANINE, (S)-3-METHOXYPHENYLALANINE, ACT09558, ANW-48084, AKOS012010733, AB02001, AG-F-14570, AG-J-04552, AM83392

Molecular Formula: C10H13NO3Molecular Weight: 195.215120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XTXGLOBWOMUGQB-VIFPVBQESA-N

• 5-(methylthio)-1H-Imidazole
IUPAC Name: 5-methylsulfanyl-1H-imidazole | CAS Registry Number: 83553-60-0
Synonyms: 4-(Methylthio)-1H-imidazole, 4-(Methylthio)imidazole, PubChem14136, SureCN1145733, SureCN10934277, 5-methylsulfanyl-1H-imidazole, AGN-PC-00KT83, CTK8B7001, 4-(methylsulfanyl)-1H-imidazole, MolPort-004-749-713, ANW-55796, WTI-11186, AKOS006375818, AKOS015852548, AG-H-33489, RP19109, 1H-IMIDAZOLE, 4-(METHYLTHIO)-, AK-57019, KB-35042, FT-0682337

Molecular Formula: C4H6N2SMolecular Weight: 114.168840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NLIJIXLRIYPOHM-UHFFFAOYSA-N

• 4-(3-chloropropyl)-morpholine
IUPAC Name: 4-(3-chloropropyl)morpholine | CAS Registry Number: 7357-67-7
Synonyms: 3-Morpholinopropyl chloride, 1-Chloro-3-morpholinopropane, N-(3-Chloropropyl)morpholine, 4-(3-Chloropropyl)morpholine, Morpholine, 4-(3-chloropropyl)-, NSC38889, NSC 38889, CID95834, NSC28831, LS-92661, STT-00318263

Molecular Formula: C7H14ClNOMolecular Weight: 163.645160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-N

• 4-Bromo-L-phenylalanine
IUPAC Name: (2S)-2-amino-3-(4-bromophenyl)propanoic acid | CAS Registry Number: 24250-84-8
Synonyms: L-4-Bromophenylalanine, 4-BROMO-L-PHENYLALANINE, P-BROMO-L-PHENYLALANINE, 18055_FLUKA, AL036-1, TL8001830, A00167, 4BF

Molecular Formula: C9H10BrNO2Molecular Weight: 244.085200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PEMUHKUIQHFMTH-QMMMGPOBSA-N

• 7-Methyl-2-Propyl-1h-Benzoimidazole-5-Carboxylic Acid Methyl Ester
IUPAC Name: methyl 7-methyl-2-propyl-3H-benzimidazole-5-carboxylate | CAS Registry Number: 152628-00-7
Synonyms: Methyl 4-methyl-2-propyl-1H-benzimidazole-6-carboxylate, Methyl 7-methyl-2-propyl-1H-benzo[d]imidazole-5-carboxylate, zlchem 379, 2-IODTHIOPHENE, SCHEMBL159894, BEN181, CTK8H0576, ZLC0223, DEFDQXCQBZEOGY-UHFFFAOYSA-N, MolPort-027-835-523, ZINC34279246, AKOS016009584, AC-6374, AJ-87789, AK111137, AN-10110, AB0109328, DB-050274, RT-013837, FT-0659466

Molecular Formula: C13H16N2O2Molecular Weight: 232.278340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DEFDQXCQBZEOGY-UHFFFAOYSA-N

• 2-Phenylindole-3-carboxaldehyde
IUPAC Name: 2-phenyl-1H-indole-3-carbaldehyde | CAS Registry Number: 25365-71-3
Synonyms: 543322_ALDRICH, 2-Phenyl-1H-indole-3-carbaldehyde, ALBB-006196, Indole-3-carboxaldehyde, 2-phenyl-, ZINC00061642, 1H-Indole-3-carboxaldehyde, 2-phenyl-, A0951/0044487

Molecular Formula: C15H11NOMolecular Weight: 221.253940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IFIFXODAHZPTEY-UHFFFAOYSA-N

• 1-Acetamido Adamantane
IUPAC Name: N-(1-adamantyl)acetamide | CAS Registry Number: 880-52-4
Synonyms: 1-Acetamidoadamantane, 1-Adamantylacetamide, N-(1-Adamantyl)acetamide, N-1-Adamantylacetamide, Acetamide, N-1-adamantyl-, 1-Acetamino adamantane, Ambap5974, Acetamide, N-(1-adamantyl)-, 137103_ALDRICH, EINECS 212-914-9, AIDS211778, NSC 527917, AIDS-211778, BRN 2098306, NSC527917, ZINC03860730, LS-8000, N-Tricyclo(3.3.1.13,7)dec-1-ylacetamide, Acetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-, Acetamide, N-tricyclo[3.3.1.1]dec-1-yl-

Molecular Formula: C12H19NOMolecular Weight: 193.285360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BCVXYGJCDZPKGV-UHFFFAOYSA-N

• 2-Pyrazinamine, 3-(phenylmethoxy)-
IUPAC Name: 3-phenylmethoxypyrazin-2-amine | CAS Registry Number: 110223-15-9
Synonyms: 2-AMINO-3-BENZYLOXYPYRAZINE, 3-(benzyloxy)pyrazin-2-amine, 2-Pyrazinamine,3-(phenylmethoxy)-, zlchem 177, PubChem19570, ACMC-20a0ri, SureCN6244167, CTK4A6821, ZLB0168, MolPort-009-197-120, ACT06235, 2-AMINOL-3-BENZYLOXYPYRAZINE, ANW-51916, AKOS015855039, AB53392, AG-D-27515, QC-6912, 3-(PHENYLMETHOXY)-2-PYRAZINAMINE, AK-23602, BR-23602

Molecular Formula: C11H11N3OMolecular Weight: 201.224540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QKEQFJXWHGVJJU-UHFFFAOYSA-N

• 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One
IUPAC Name: 1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 4424-80-0
Synonyms: NCIOpen2_000317, MLS000660452, NSC65882, ZINC04101101, 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, SMR000309971, Benzo[b]azepin-2-one, 1,3,4,5-tetrahydro-, AR-438/40240582, A3763/0159577

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HRVRAYIYXRVAPR-UHFFFAOYSA-N

• 4-Nitroindole
IUPAC Name: 4-nitro-1H-indole | CAS Registry Number: 4769-97-5
Synonyms: Indole, 4-nitro-, 4-Nitro-1H-indole, 1H-Indole, 4-nitro-, Maybridge1_006408, Oprea1_676916, 269964_ALDRICH, ZINC00082985, ST5406370, TL8003237, N-2980

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LAVZKLJDKGRZJG-UHFFFAOYSA-N

• 8-Amino-6-MethoxyQuinoline
IUPAC Name: 6-methoxyquinolin-8-amine | CAS Registry Number: 90-52-8
Synonyms: Amichin, 8-Amino-6-methoxyquinoline, 6-Methoxy-8-quinolinamine, 6-Methoxy-8-aminoquinoline, 6-Methoxy-8-quinolylamine, 8-Quinolinamine, 6-methoxy-, 8-Quinolineamine, 6-methoxy-, NSC13573, EINECS 202-001-3, QUINOLINE, 8-AMINO-6-METHOXY-, WLN: T66 BNJ HO1 JZ, NSC 13573, AIDS011310, NSC 119507, AIDS-011310, ZERO/008507, BRN 0133397, NSC119507, ZINC00403451, 8-Quinolinamine, 6-methoxy- (9CI)

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGGTVPCTAKYCSQ-UHFFFAOYSA-N


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