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Home > Nitro Compounds > 943-41-9
943-41-9 | N-NITROSO-N-METHYL-4-NITROANILINE
CAS No: 943-41-9 Catalog No: AG006BY6 MDL No:
Product Description
Catalog Number:
AG006BY6
Chemical Name:
N-NITROSO-N-METHYL-4-NITROANILINE
CAS Number:
943-41-9
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
IUPAC Name:
N-methyl-N-(4-nitrophenyl)nitrous amide
InChI:
InChI=1S/C7H7N3O3/c1-9(8-11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3
InChI Key:
AMTRFSFECFPSHF-UHFFFAOYSA-N
SMILES:
O=NN(c1ccc(cc1)[N+](=O)[O-])C
NSC Number:
528438
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Repair of cytokine-induced DNA damage in cultured rat islets of Langerhans. | Free radical research 20040701 |
| The effect of substituents in the aromatic ring on carcinogenicity of N-nitrosomethylaniline in F344 rats. | Carcinogenesis 19830101 |
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