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Home > Nitro Compounds > 13256-32-1
13256-32-1 | Urea, N,N'-dimethyl-N'-nitroso-
CAS No: 13256-32-1 Catalog No: AG0010U7 MDL No:MFCD00883698
Product Description
Catalog Number:
AG0010U7
Chemical Name:
Urea, N,N'-dimethyl-N'-nitroso-
CAS Number:
13256-32-1
Molecular Formula:
C3H7N3O2
Molecular Weight:
117.1066
MDL Number:
MFCD00883698
IUPAC Name:
1,3-dimethyl-1-nitrosourea
InChI:
InChI=1S/C3H7N3O2/c1-4-3(7)6(2)5-8/h1-2H3,(H,4,7)
InChI Key:
BHMHNSQLZKUIMD-UHFFFAOYSA-N
SMILES:
CN(C(=O)NC)N=O
UNII:
IJT22X8U2Z
NSC Number:
48893
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.054g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.108g/mol
Monoisotopic Mass:
117.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Studies of initiation and promotion of carcinogenesis by N-nitroso compounds. | Cancer letters 19980130 |
| Carcinogenesis in rats by nitrosodialkylureas containing methyl and ethyl groups given by gavage and in drinking water. | Journal of toxicology and environmental health 19890101 |
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