Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 886364-09-6
CAS Name: 1-[2-amino-1-(4-aminophenyl)ethyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-(4-aminophenyl)-2-azanyl-ethyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: C1CN(CC1C(=O)O)C(CN)C2=CC=C(C=C2)N

CAS RN: 886363-95-7
CAS Name: 1-[2-amino-1-(3-aminophenyl)ethyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-amino-1-(3-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[2-amino-1-(3-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-(3-aminophenyl)-2-azanyl-ethyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: C1CN(CC1C(=O)O)C(CN)C2=CC(=CC=C2)N

CAS RN: 886363-85-5
CAS Name: 1-[2-amino-1-(2-aminophenyl)ethyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-(2-aminophenyl)-2-azanyl-ethyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: C1CN(CC1C(=O)O)C(CN)C2=CC=CC=C2N

CAS RN: 721958-70-9
CAS Name: 3-(4-piperidinyl)aniline dihydrochloride
OPENEYE Name: 3-(4-piperidyl)aniline dihydrochloride
IUPAC Name: 3-piperidin-4-ylaniline dihydrochloride
SYSTEMATIC NAME: 3-piperidin-4-ylaniline dihydrochloride
MOLECULAR FORMULA: C11H18Cl2N2
MOLECULAR WEIGHT: 249.18002
SMILES: C1CNCCC1C2=CC(=CC=C2)N.Cl.Cl

CAS RN: 886364-05-2
CAS Name: 1-[2-amino-1-(4-methylphenyl)ethyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-amino-1-(p-tolyl)ethyl]pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[2-amino-1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[2-azanyl-1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CC1=CC=C(C=C1)C(CN)N2CCC(C2)C(=O)O

CAS RN: 886363-94-6
CAS Name: 1-[2-amino-1-(3-methylphenyl)ethyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-amino-1-(m-tolyl)ethyl]pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[2-amino-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[2-azanyl-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CC1=CC(=CC=C1)C(CN)N2CCC(C2)C(=O)O

CAS RN: 103733-33-1
CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
IUPAC Name: ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
MOLECULAR FORMULA: C12H16ClNO2
MOLECULAR WEIGHT: 241.71394
SMILES: CCOC(=O)C1C2=CC=CC=C2CCN1.Cl

CAS RN: 886363-77-5
CAS Name: 3-acetamido-3-(3-chlorophenyl)propanoic acid
OPENEYE Name: 3-acetamido-3-(3-chlorophenyl)propanoic acid
IUPAC Name: 3-acetamido-3-(3-chlorophenyl)propanoic acid
SYSTEMATIC NAME: 3-acetamido-3-(3-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C11H12ClNO3
MOLECULAR WEIGHT: 241.67088
SMILES: CC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Cl

CAS RN: 886363-75-3
CAS Name: 3-acetamido-3-(2-chlorophenyl)propanoic acid
OPENEYE Name: 3-acetamido-3-(2-chlorophenyl)propanoic acid
IUPAC Name: 3-acetamido-3-(2-chlorophenyl)propanoic acid
SYSTEMATIC NAME: 3-acetamido-3-(2-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C11H12ClNO3
MOLECULAR WEIGHT: 241.67088
SMILES: CC(=O)NC(CC(=O)O)C1=CC=CC=C1Cl

CAS RN: 886363-62-8
CAS Name: 2-ethyl-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2-ethyl-2-methyl-6-nitro-chroman-4-one
IUPAC Name: 2-ethyl-2-methyl-6-nitro-3H-chromen-4-one
SYSTEMATIC NAME: 2-ethyl-2-methyl-6-nitro-3H-chromen-4-one
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CCC1(CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C

CAS RN: 886364-11-0
CAS Name: 1-(2-amino-1-phenylethyl)-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-amino-1-phenyl-ethyl)pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(2-amino-1-phenylethyl)pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(2-azanyl-1-phenyl-ethyl)pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CN(CC1C(=O)O)C(CN)C2=CC=CC=C2

CAS RN: 99329-70-1
CAS Name: 4-(3-chlorophenyl)piperidine hydrochloride
OPENEYE Name: 4-(3-chlorophenyl)piperidine hydrochloride
IUPAC Name: 4-(3-chlorophenyl)piperidine hydrochloride
SYSTEMATIC NAME: 4-(3-chlorophenyl)piperidine hydrochloride
MOLECULAR FORMULA: C11H15Cl2N
MOLECULAR WEIGHT: 232.1495
SMILES: C1CNCCC1C2=CC(=CC=C2)Cl.Cl

CAS RN: 886362-99-8
CAS Name: N-methyl-1-(1-methyl-4-piperidinyl)-2-(1-pyrrolidinyl)ethanamine
OPENEYE Name: N-methyl-1-(1-methyl-4-piperidyl)-2-pyrrolidin-1-yl-ethanamine
IUPAC Name: N-methyl-1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-ylethanamine
SYSTEMATIC NAME: N-methyl-1-(1-methylpiperidin-4-yl)-2-pyrrolidin-1-yl-ethanamine
MOLECULAR FORMULA: C13H27N3
MOLECULAR WEIGHT: 225.37358
SMILES: CNC(CN1CCCC1)C2CCN(CC2)C

CAS RN: 198959-36-3
CAS Name: (3S)-3-amino-3-(3-pyridinyl)propanoic acid methyl ester hydrochloride
OPENEYE Name: methyl (3S)-3-amino-3-(3-pyridyl)propanoate hydrochloride
IUPAC Name: methyl (3S)-3-amino-3-pyridin-3-ylpropanoate hydrochloride
SYSTEMATIC NAME: methyl (3S)-3-azanyl-3-pyridin-3-yl-propanoate hydrochloride
MOLECULAR FORMULA: C9H13ClN2O2
MOLECULAR WEIGHT: 216.66472
SMILES: COC(=O)C[C@@H](C1=CN=CC=C1)N.Cl

CAS RN: 931409-74-4
CAS Name: (3S)-3-phenylmethoxypyrrolidine hydrochloride
OPENEYE Name: (3S)-3-benzyloxypyrrolidine hydrochloride
IUPAC Name: (3S)-3-phenylmethoxypyrrolidine hydrochloride
SYSTEMATIC NAME: (3S)-3-phenylmethoxypyrrolidine hydrochloride
MOLECULAR FORMULA: C11H16ClNO
MOLECULAR WEIGHT: 213.70384
SMILES: C1CNC[C@H]1OCC2=CC=CC=C2.Cl

CAS RN: 90272-96-1
CAS Name: (6E)-6-[5-(chloromethyl)-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[5-(chloromethyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[5-(chloromethyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[5-(chloromethyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C9H7ClN2O2
MOLECULAR WEIGHT: 210.61708
SMILES: C1=C/C(=C/2\NOC(=N2)CCl)/C(=O)C=C1

CAS RN: 886363-56-0
CAS Name: 6-amino-2-ethyl-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 6-amino-2-ethyl-2-methyl-chroman-4-one
IUPAC Name: 6-amino-2-ethyl-2-methyl-3H-chromen-4-one
SYSTEMATIC NAME: 6-azanyl-2-ethyl-2-methyl-3H-chromen-4-one
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CCC1(CC(=O)C2=C(O1)C=CC(=C2)N)C

CAS RN: 43189-43-1
CAS Name: (2R)-2-amino-2-(4-chlorophenyl)acetic acid methyl ester hydrochloride
OPENEYE Name: methyl (2R)-2-amino-2-(4-chlorophenyl)acetate hydrochloride
IUPAC Name: methyl (2R)-2-amino-2-(4-chlorophenyl)acetate hydrochloride
SYSTEMATIC NAME: methyl (2R)-2-azanyl-2-(4-chlorophenyl)ethanoate hydrochloride
MOLECULAR FORMULA: C9H11Cl2NO2
MOLECULAR WEIGHT: 236.09514
SMILES: COC(=O)[C@@H](C1=CC=C(C=C1)Cl)N.Cl

CAS RN: 106961-22-2
CAS Name: 1,4,7,17,20,23-hexazacyclodotriacontane hexahydrochloride
OPENEYE Name: 1,4,7,17,20,23-hexazacyclodotriacontane hexahydrochloride
IUPAC Name: 1,4,7,17,20,23-hexazacyclodotriacontane hexahydrochloride
SYSTEMATIC NAME: 1,4,7,17,20,23-hexazacyclodotriacontane hexahydrochloride
MOLECULAR FORMULA: C26H64Cl6N6
MOLECULAR WEIGHT: 673.54456
SMILES: C1CCCCNCCNCCNCCCCCCCCCNCCNCCNCCCC1.Cl.Cl.Cl.Cl.Cl.Cl

CAS RN: 886365-41-9
CAS Name: N-[1-(2-amino-1-phenylethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[1-(2-amino-1-phenyl-ethyl)pyrrolidin-3-yl]carbamate
IUPAC Name: tert-butyl N-[1-(2-amino-1-phenylethyl)pyrrolidin-3-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-(2-azanyl-1-phenyl-ethyl)pyrrolidin-3-yl]carbamate
MOLECULAR FORMULA: C17H27N3O2
MOLECULAR WEIGHT: 305.41518
SMILES: CC(C)(C)OC(=O)NC1CCN(C1)C(CN)C2=CC=CC=C2

CAS RN: 42823-72-3
CAS Name: 4-carbamimidoylbenzoic acid hydrochloride
OPENEYE Name: 4-carbamimidoylbenzoic acid hydrochloride
IUPAC Name: 4-carbamimidoylbenzoic acid hydrochloride
SYSTEMATIC NAME: 4-carbamimidoylbenzoic acid hydrochloride
MOLECULAR FORMULA: C8H9ClN2O2
MOLECULAR WEIGHT: 200.62226
SMILES: C1=CC(=CC=C1C(=N)N)C(=O)O.Cl

CAS RN: 1016552-72-9
CAS Name: 3-amino-2-thiophenecarboxylic acid hydrochloride
OPENEYE Name: 3-aminothiophene-2-carboxylic acid hydrochloride
IUPAC Name: 3-aminothiophene-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: 3-azanylthiophene-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C5H6ClNO2S
MOLECULAR WEIGHT: 179.62464
SMILES: C1=CSC(=C1N)C(=O)O.Cl

CAS RN: 68208-22-0
CAS Name: 3-amino-3-(3-methylphenyl)-1-propanol
OPENEYE Name: 3-amino-3-(m-tolyl)propan-1-ol
IUPAC Name: 3-amino-3-(3-methylphenyl)propan-1-ol
SYSTEMATIC NAME: 3-azanyl-3-(3-methylphenyl)propan-1-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC1=CC(=CC=C1)C(CCO)N

CAS RN: 214139-20-5
CAS Name: 3-amino-2-methylpropanoic acid hydrate
OPENEYE Name: 3-amino-2-methyl-propanoic acid hydrate
IUPAC Name: 3-amino-2-methylpropanoic acid hydrate
SYSTEMATIC NAME: 3-azanyl-2-methyl-propanoic acid hydrate
MOLECULAR FORMULA: C4H11NO3
MOLECULAR WEIGHT: 121.13504
SMILES: CC(CN)C(=O)O.O

CAS RN: 76935-75-6
CAS Name: 3-(2-aminoethyl)aniline hydrochloride
OPENEYE Name: 3-(2-aminoethyl)aniline hydrochloride
IUPAC Name: 3-(2-aminoethyl)aniline hydrochloride
SYSTEMATIC NAME: 3-(2-azanylethyl)aniline hydrochloride
MOLECULAR FORMULA: C8H13ClN2
MOLECULAR WEIGHT: 172.65522
SMILES: C1=CC(=CC(=C1)N)CCN.Cl

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