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614-00-6 | N-NITROSO-N-METHYLANILINE
CAS No: 614-00-6 Catalog No: AG003T92 MDL No:MFCD00045675
Product Description
Catalog Number:
AG003T92
Chemical Name:
N-NITROSO-N-METHYLANILINE
CAS Number:
614-00-6
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD00045675
IUPAC Name:
N-methyl-N-phenylnitrous amide
InChI:
InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
MAXCWSIJKVASQC-UHFFFAOYSA-N
SMILES:
O=NN(c1ccccc1)C
EC Number:
210-366-5
UNII:
9SM68I29WQ
NSC Number:
137
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Isolation and structural identification of a direct-acting mutagen derived from N-nitroso-N-methylpentylamine and Fenton's reagent with copper ion. | Bioorganic & medicinal chemistry 20110915 |
| The binding affinity of carcinogenic N-nitrosodimethylamine and N-nitrosomethylaniline to cytochromes P450 2B4, 2E1 and 3A6 does not dictate the rate of their enzymatic N-demethylation. | General physiology and biophysics 20100601 |
| Characterization of CYP2A13*2, a variant cytochrome P450 allele previously found to be associated with decreased incidences of lung adenocarcinoma in smokers. | Drug metabolism and disposition: the biological fate of chemicals 20081101 |
| Rabbit liver microsomal system: study of interaction with two model N-nitrosamines and their metabolism. | General physiology and biophysics 20041201 |
| The effect of substituents in the aromatic ring on carcinogenicity of N-nitrosomethylaniline in F344 rats. | Carcinogenesis 19830101 |
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