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Home Nitros Urea, N,N'-dimethyl-N'-nitroso-

Urea, N,N'-dimethyl-N'-nitroso-

CAS No.:
13256-32-1
Catalog Number:
AG0010U7
Molecular Formula:
C3H7N3O2
Molecular Weight:
117.1066
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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
Properties