CAS RN: 13641-96-8
CAS Name: 2-propenoic acid 2-isocyanatoethyl ester
OPENEYE Name: 2-isocyanatoethyl prop-2-enoate
IUPAC Name: 2-isocyanatoethyl prop-2-enoate
SYSTEMATIC NAME: 2-isocyanatoethyl prop-2-enoate
MOLECULAR FORMULA: C6H7NO3
MOLECULAR WEIGHT: 141.12468
SMILES: C=CC(=O)OCCN=C=O
Structure:
CAS RN: 13633-34-6
CAS Name: 1,3-dichloro-2,5-dinitrobenzene
OPENEYE Name: 1,3-dichloro-2,5-dinitro-benzene
IUPAC Name: 1,3-dichloro-2,5-dinitrobenzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2,5-dinitro-benzene
MOLECULAR FORMULA: C6H2Cl2N2O4
MOLECULAR WEIGHT: 236.99708
SMILES: C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]
Structure:
CAS RN: 13623-98-8
CAS Name: 2-(nitromethylidene)imidazolidine
OPENEYE Name: 2-(nitromethylene)imidazolidine
IUPAC Name: 2-(nitromethylidene)imidazolidine
SYSTEMATIC NAME: 2-(nitromethylidene)imidazolidine
MOLECULAR FORMULA: C4H7N3O2
MOLECULAR WEIGHT: 129.11728
SMILES: C1CNC(=C[N+](=O)[O-])N1
Structure:
CAS RN: 13603-62-8
CAS Name: 1-(4-methylphenyl)ethane-1,2-diol
OPENEYE Name: 1-(p-tolyl)ethane-1,2-diol
IUPAC Name: 1-(4-methylphenyl)ethane-1,2-diol
SYSTEMATIC NAME: 1-(4-methylphenyl)ethane-1,2-diol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CC1=CC=C(C=C1)C(CO)O
Structure:
CAS RN: 13593-09-4
CAS Name: phosphoric acid diethyl 2-quinoxalinyl ester
OPENEYE Name: diethyl quinoxalin-2-yl phosphate
IUPAC Name: diethyl quinoxalin-2-yl phosphate
SYSTEMATIC NAME: diethyl quinoxalin-2-yl phosphate
MOLECULAR FORMULA: C12H15N2O4P
MOLECULAR WEIGHT: 282.232261
SMILES: CCOP(=O)(OCC)OC1=NC2=CC=CC=C2N=C1
Structure:
CAS RN: 13576-60-8
CAS Name: 2-(4-chlorophenyl)ethylurea
OPENEYE Name: 2-(4-chlorophenyl)ethylurea
IUPAC Name: 2-(4-chlorophenyl)ethylurea
SYSTEMATIC NAME: 1-[2-(4-chlorophenyl)ethyl]urea
MOLECULAR FORMULA: C9H11ClN2O
MOLECULAR WEIGHT: 198.64944
SMILES: C1=CC(=CC=C1CCNC(=O)N)Cl
Structure:
CAS RN: 13484-95-2
CAS Name: 6-amino-5-hydroxy-1H-pyrimidin-2-one
OPENEYE Name: 6-amino-5-hydroxy-1H-pyrimidin-2-one
IUPAC Name: 6-amino-5-hydroxy-1H-pyrimidin-2-one
SYSTEMATIC NAME: 6-azanyl-5-oxidanyl-1H-pyrimidin-2-one
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: C1=NC(=O)NC(=C1O)N
Structure:
CAS RN: 13474-05-0
CAS Name: cyclododecane-1,5-diol
OPENEYE Name: cyclododecane-1,5-diol
IUPAC Name: cyclododecane-1,5-diol
SYSTEMATIC NAME: cyclododecane-1,5-diol
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: C1CCCC(CCCC(CCC1)O)O
Structure:
CAS RN: 13472-56-5
CAS Name: 2-methoxy-5-methylpyridine
OPENEYE Name: 2-methoxy-5-methyl-pyridine
IUPAC Name: 2-methoxy-5-methylpyridine
SYSTEMATIC NAME: 2-methoxy-5-methyl-pyridine
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=CN=C(C=C1)OC
Structure:
CAS RN: 13458-14-5
CAS Name: 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
OPENEYE Name: 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
IUPAC Name: 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C12H14ClN
MOLECULAR WEIGHT: 207.69926
SMILES: CN1CCC(=CC1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 614-94-8
CAS Name: 4-methoxybenzene-1,3-diamine hydrochloride
OPENEYE Name: 4-methoxybenzene-1,3-diamine hydrochloride
IUPAC Name: 4-methoxybenzene-1,3-diamine hydrochloride
SYSTEMATIC NAME: 4-methoxybenzene-1,3-diamine hydrochloride
MOLECULAR FORMULA: C7H11ClN2O
MOLECULAR WEIGHT: 174.62804
SMILES: COC1=C(C=C(C=C1)N)N.Cl
Structure:
CAS RN: 13438-27-2
CAS Name: 4-methoxybenzene-1,3-diamine hydrochloride
OPENEYE Name: 4-methoxybenzene-1,3-diamine hydrochloride
IUPAC Name: 4-methoxybenzene-1,3-diamine hydrochloride
SYSTEMATIC NAME: 4-methoxybenzene-1,3-diamine hydrochloride
MOLECULAR FORMULA: C7H11ClN2O
MOLECULAR WEIGHT: 174.62804
SMILES: COC1=C(C=C(C=C1)N)N.Cl
Structure:
CAS RN: 13435-20-6
CAS Name: tetraethylammonium cyanide
OPENEYE Name: tetraethylammonium cyanide
IUPAC Name: tetraethylazanium cyanide
SYSTEMATIC NAME: tetraethylazanium cyanide
MOLECULAR FORMULA: C9H20N2
MOLECULAR WEIGHT: 156.2685
SMILES: CC[N+](CC)(CC)CC.[C-]#N
Structure:
CAS RN: 13406-04-7
CAS Name: 1-(3-methoxypropyl)-1-nitrosourea
OPENEYE Name: 1-(3-methoxypropyl)-1-nitroso-urea
IUPAC Name: 1-(3-methoxypropyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(3-methoxypropyl)-1-nitroso-urea
MOLECULAR FORMULA: C5H11N3O3
MOLECULAR WEIGHT: 161.15914
SMILES: COCCCN(C(=O)N)N=O
Structure:
CAS RN: 13396-07-1
CAS Name: 10-[2-(dimethylamino)ethyl]-9-acridinone
OPENEYE Name: 10-[2-(dimethylamino)ethyl]acridin-9-one
IUPAC Name: 10-[2-(dimethylamino)ethyl]acridin-9-one
SYSTEMATIC NAME: 10-[2-(dimethylamino)ethyl]acridin-9-one
MOLECULAR FORMULA: C17H18N2O
MOLECULAR WEIGHT: 266.33762
SMILES: CN(C)CCN1C2=CC=CC=C2C(=O)C3=CC=CC=C31
Structure:
CAS RN: 13385-66-5
CAS Name: 5,5-dimethyl-2-propan-2-yl-4-thiazolidinecarboxylic acid hydrochloride
OPENEYE Name: 2-isopropyl-5,5-dimethyl-thiazolidine-4-carboxylic acid hydrochloride
IUPAC Name: 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid hydrochloride
SYSTEMATIC NAME: 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid hydrochloride
MOLECULAR FORMULA: C9H18ClNO2S
MOLECULAR WEIGHT: 239.76272
SMILES: CC(C)C1NC(C(S1)(C)C)C(=O)O.Cl
Structure:
CAS RN: 13347-44-9
CAS Name: N-(2-hydroxy-4-phenylphenyl)acetamide
OPENEYE Name: N-(2-hydroxy-4-phenyl-phenyl)acetamide
IUPAC Name: N-(2-hydroxy-4-phenylphenyl)acetamide
SYSTEMATIC NAME: N-(2-oxidanyl-4-phenyl-phenyl)ethanamide
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O
Structure:
CAS RN: 13181-72-1
CAS Name: N'-(4-butylphenyl)-N,N-dimethylmethanimidamide
OPENEYE Name: N'-(4-butylphenyl)-N,N-dimethyl-formamidine
IUPAC Name: N'-(4-butylphenyl)-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-(4-butylphenyl)-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: CCCCC1=CC=C(C=C1)N=CN(C)C
Structure:
CAS RN: 13166-58-0
CAS Name: 4-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
OPENEYE Name: 4-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
IUPAC Name: 4-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
MOLECULAR FORMULA: C11H10ClN3O
MOLECULAR WEIGHT: 235.6696
SMILES: CC1=C(C(=NC(=O)N1)N)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 13149-79-6
CAS Name: 2-(hydroxymethoxy)ethanol
OPENEYE Name: 2-(hydroxymethoxy)ethanol
IUPAC Name: 2-(hydroxymethoxy)ethanol
SYSTEMATIC NAME: 2-(hydroxymethyloxy)ethanol
MOLECULAR FORMULA: C3H8O3
MOLECULAR WEIGHT: 92.09382
SMILES: C(COCO)O
Structure:
CAS RN: 13108-44-6
CAS Name: 2,3,5,6-tetrachloro-4-ethylsulfinylpyridine
OPENEYE Name: 2,3,5,6-tetrachloro-4-ethylsulfinyl-pyridine
IUPAC Name: 2,3,5,6-tetrachloro-4-ethylsulfinylpyridine
SYSTEMATIC NAME: 2,3,5,6-tetrakis(chloranyl)-4-ethylsulfinyl-pyridine
MOLECULAR FORMULA: C7H5Cl4NOS
MOLECULAR WEIGHT: 292.9977
SMILES: CCS(=O)C1=C(C(=NC(=C1Cl)Cl)Cl)Cl
Structure:
CAS RN: 13074-99-2
CAS Name: 1,4-dibromo-2,3,5,6-tetrachlorobenzene
OPENEYE Name: 1,4-dibromo-2,3,5,6-tetrachloro-benzene
IUPAC Name: 1,4-dibromo-2,3,5,6-tetrachlorobenzene
SYSTEMATIC NAME: 1,4-bis(bromanyl)-2,3,5,6-tetrakis(chloranyl)benzene
MOLECULAR FORMULA: C6Br2Cl4
MOLECULAR WEIGHT: 373.6842
SMILES: C1(=C(C(=C(C(=C1Br)Cl)Cl)Br)Cl)Cl
Structure:
CAS RN: 13074-96-9
CAS Name: 1-bromo-2,3,4,5,6-pentachlorobenzene
OPENEYE Name: 1-bromo-2,3,4,5,6-pentachloro-benzene
IUPAC Name: 1-bromo-2,3,4,5,6-pentachlorobenzene
SYSTEMATIC NAME: 1-bromanyl-2,3,4,5,6-pentakis(chloranyl)benzene
MOLECULAR FORMULA: C6BrCl5
MOLECULAR WEIGHT: 329.2332
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Br)Cl)Cl)Cl
Structure:
CAS RN: 13031-62-4
CAS Name: 4-aminobutanamide hydrochloride
OPENEYE Name: 4-aminobutanamide hydrochloride
IUPAC Name: 4-aminobutanamide hydrochloride
SYSTEMATIC NAME: 4-azanylbutanamide hydrochloride
MOLECULAR FORMULA: C4H11ClN2O
MOLECULAR WEIGHT: 138.59594
SMILES: C(CC(=O)N)CN.Cl
Structure:
CAS RN: 12741-70-7
CAS Name: 3-methyl-2-phenylpentanoic acid 2-(diethylamino)propyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)propyl 3-methyl-2-phenyl-pentanoate hydrochloride
IUPAC Name: 2-(diethylamino)propyl 3-methyl-2-phenylpentanoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)propyl 3-methyl-2-phenyl-pentanoate hydrochloride
MOLECULAR FORMULA: C19H32ClNO2
MOLECULAR WEIGHT: 341.91588
SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)N(CC)CC.Cl
Structure:
CAS RN: 12725-34-7
CAS Name: N-(6-bromo-2-methoxy-9-acridinyl)-N',N'-dimethylbutane-1,4-diamine dihydrochloride
OPENEYE Name: N-(6-bromo-2-methoxy-acridin-9-yl)-N',N'-dimethyl-butane-1,4-diamine dihydrochloride
IUPAC Name: N-(6-bromo-2-methoxyacridin-9-yl)-N',N'-dimethylbutane-1,4-diamine dihydrochloride
SYSTEMATIC NAME: N-(6-bromanyl-2-methoxy-acridin-9-yl)-N',N'-dimethyl-butane-1,4-diamine dihydrochloride
MOLECULAR FORMULA: C20H26BrCl2N3O
MOLECULAR WEIGHT: 475.24994
SMILES: CN(C)CCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Br)OC.Cl.Cl
Structure:
CAS RN: 12653-75-7
CAS Name: 2,3-di(propan-2-yl)-1-naphthalenesulfonate
OPENEYE Name: 2,3-diisopropylnaphthalene-1-sulfonate
IUPAC Name: 2,3-di(propan-2-yl)naphthalene-1-sulfonate
SYSTEMATIC NAME: 2,3-di(propan-2-yl)naphthalene-1-sulfonate
MOLECULAR FORMULA: C16H19O3S-
MOLECULAR WEIGHT: 291.38526
SMILES: CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-]
Structure:
CAS RN: 12407-98-6
CAS Name: 1,1,2,5-tetrachloropentane
OPENEYE Name: 1,1,2,5-tetrachloropentane
IUPAC Name: 1,1,2,5-tetrachloropentane
SYSTEMATIC NAME: 1,1,2,5-tetrakis(chloranyl)pentane
MOLECULAR FORMULA: C5H8Cl4
MOLECULAR WEIGHT: 209.92902
SMILES: C(CC(C(Cl)Cl)Cl)CCl
Structure:
CAS RN: 12370-85-3
CAS Name: calcium chlorate chloride
OPENEYE Name: calcium chlorate chloride
IUPAC Name: calcium chlorate chloride
SYSTEMATIC NAME: calcium chlorate chloride
MOLECULAR FORMULA: CaCl2O3
MOLECULAR WEIGHT: 158.9822
SMILES: [O-]Cl(=O)=O.[Cl-].[Ca+2]
Structure:
CAS RN: 12167-26-9
CAS Name: 5-chloro-7-iodo-1H-quinolin-2-one
OPENEYE Name: 5-chloro-7-iodo-1H-quinolin-2-one
IUPAC Name: 5-chloro-7-iodo-1H-quinolin-2-one
SYSTEMATIC NAME: 5-chloranyl-7-iodanyl-1H-quinolin-2-one
MOLECULAR FORMULA: C9H5ClINO
MOLECULAR WEIGHT: 305.49957
SMILES: C1=CC(=O)NC2=CC(=CC(=C21)Cl)I
Structure:
CAS RN: 101900-58-7
CAS Name: ammonium pentasulfide
OPENEYE Name: ammonium pentasulfide
IUPAC Name: azanium pentasulfide
SYSTEMATIC NAME: azanium pentasulfide
MOLECULAR FORMULA: H4NS5-9
MOLECULAR WEIGHT: 178.36346
SMILES: [NH4+].[S-2].[S-2].[S-2].[S-2].[S-2]
Structure:
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