Friday, July 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-methoxyaniline
CAS Name: 4-methoxyaniline
IUPAC NAME: 4-methoxyaniline
SYSTEMATIC NAME: 4-methoxyaniline
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: COC1=CC=C(C=C1)N
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Product OPENEYE NAME: isobutyl 3-(2-furyl)propanoate
CAS Name: 3-(2-furanyl)propanoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 3-(furan-2-yl)propanoate
SYSTEMATIC NAME: 2-methylpropyl 3-(furan-2-yl)propanoate
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC(C)COC(=O)CCC1=CC=CO1
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Product OPENEYE NAME: 1,4-diethylbenzene
CAS Name: 1,4-diethylbenzene
IUPAC NAME: 1,4-diethylbenzene
SYSTEMATIC NAME: 1,4-diethylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=CC=C(C=C1)CC
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Product OPENEYE NAME: [4-(hydroxymethyl)cyclohexyl]methanol
CAS Name: [4-(hydroxymethyl)cyclohexyl]methanol
IUPAC NAME: [4-(hydroxymethyl)cyclohexyl]methanol
SYSTEMATIC NAME: [4-(hydroxymethyl)cyclohexyl]methanol
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: C1CC(CCC1CO)CO
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Product OPENEYE NAME: N4,N4-dimethylbenzene-1,4-diamine hydrochloride
CAS Name: N4,N4-dimethylbenzene-1,4-diamine hydrochloride
IUPAC NAME: 4-N,4-N-dimethylbenzene-1,4-diamine hydrochloride
SYSTEMATIC NAME: N4,N4-dimethylbenzene-1,4-diamine hydrochloride
MOLECULAR FORMULA: C8H13ClN2
MOLECULAR WEIGHT: 172.65522
SMILES: CN(C)C1=CC=C(C=C1)N.Cl
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Product OPENEYE NAME: N-(4-nitrosophenyl)hydroxylamine
CAS Name: N-(4-nitrosophenyl)hydroxylamine
IUPAC NAME: N-(4-nitrosophenyl)hydroxylamine
SYSTEMATIC NAME: N-(4-nitrosophenyl)hydroxylamine
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC(=CC=C1NO)N=O
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Product OPENEYE NAME: (4-methoxyphenyl)methanol
CAS Name: (4-methoxyphenyl)methanol
IUPAC NAME: (4-methoxyphenyl)methanol
SYSTEMATIC NAME: (4-methoxyphenyl)methanol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: COC1=CC=C(C=C1)CO
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Product OPENEYE NAME: 5-(diethylamino)pentan-2-one
CAS Name: 5-(diethylamino)-2-pentanone
IUPAC NAME: 5-(diethylamino)pentan-2-one
SYSTEMATIC NAME: 5-(diethylamino)pentan-2-one
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CCN(CC)CCCC(=O)C
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Product OPENEYE NAME: N,N,N',N'-tetraethylbut-2-yne-1,4-diamine
CAS Name: N,N,N',N'-tetraethyl-2-butyne-1,4-diamine
IUPAC NAME: N,N,N',N'-tetraethylbut-2-yne-1,4-diamine
SYSTEMATIC NAME: N,N,N',N'-tetraethylbut-2-yne-1,4-diamine
MOLECULAR FORMULA: C12H24N2
MOLECULAR WEIGHT: 196.33236
SMILES: CCN(CC)CC#CCN(CC)CC
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Product OPENEYE NAME: 2-(1H-pyrazol-5-yl)ethanamine
CAS Name: 2-(1H-pyrazol-5-yl)ethanamine
IUPAC NAME: 2-(1H-pyrazol-5-yl)ethanamine
SYSTEMATIC NAME: 2-(1H-pyrazol-5-yl)ethanamine
MOLECULAR FORMULA: C5H9N3
MOLECULAR WEIGHT: 111.14506
SMILES: C1=C(NN=C1)CCN
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Product OPENEYE NAME: 5-propyltetrahydrofuran-2-one
CAS Name: 5-propyl-2-oxolanone
IUPAC NAME: 5-propyloxolan-2-one
SYSTEMATIC NAME: 5-propyloxolan-2-one
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCCC1CCC(=O)O1
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Product OPENEYE NAME: 1-cyclopentylpropan-2-amine
CAS Name: 1-cyclopentyl-2-propanamine
IUPAC NAME: 1-cyclopentylpropan-2-amine
SYSTEMATIC NAME: 1-cyclopentylpropan-2-amine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CC(CC1CCCC1)N
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Product OPENEYE NAME: 2-heptadecyl-4,5-dihydro-1H-imidazole
CAS Name: 2-heptadecyl-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-heptadecyl-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-heptadecyl-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C20H40N2
MOLECULAR WEIGHT: 308.545
SMILES: CCCCCCCCCCCCCCCCCC1=NCCN1
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Product OPENEYE NAME: 2-methylpentan-1-ol
CAS Name: 2-methyl-1-pentanol
IUPAC NAME: 2-methylpentan-1-ol
SYSTEMATIC NAME: 2-methylpentan-1-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCC(C)CO
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Product OPENEYE NAME: hex-1-yn-3-ol
CAS Name: 1-hexyn-3-ol
IUPAC NAME: hex-1-yn-3-ol
SYSTEMATIC NAME: hex-1-yn-3-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CCCC(C#C)O
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Product OPENEYE NAME: methyl 2-cyanoacetate
CAS Name: 2-cyanoacetic acid methyl ester
IUPAC NAME: methyl 2-cyanoacetate
SYSTEMATIC NAME: methyl 2-cyanoethanoate
MOLECULAR FORMULA: C4H5NO2
MOLECULAR WEIGHT: 99.088
SMILES: COC(=O)CC#N
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Product OPENEYE NAME: ethyl 2-bromoacetate
CAS Name: 2-bromoacetic acid ethyl ester
IUPAC NAME: ethyl 2-bromoacetate
SYSTEMATIC NAME: ethyl 2-bromanylethanoate
MOLECULAR FORMULA: C4H7BrO2
MOLECULAR WEIGHT: 167.00118
SMILES: CCOC(=O)CBr
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Product OPENEYE NAME: ethyl propanoate
CAS Name: propanoic acid ethyl ester
IUPAC NAME: ethyl propanoate
SYSTEMATIC NAME: ethyl propanoate
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CCC(=O)OCC
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Product OPENEYE NAME: vinyl propanoate
CAS Name: propanoic acid ethenyl ester
IUPAC NAME: ethenyl propanoate
SYSTEMATIC NAME: ethenyl propanoate
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CCC(=O)OC=C
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