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Home > Nitro Compounds > 816-57-9
816-57-9 | Urea,N-nitroso-N-propyl-
CAS No: 816-57-9 Catalog No: AG0051CH MDL No:MFCD01675840
Product Description
Catalog Number:
AG0051CH
Chemical Name:
Urea,N-nitroso-N-propyl-
CAS Number:
816-57-9
Molecular Formula:
C4H9N3O2
Molecular Weight:
131.1332
MDL Number:
MFCD01675840
IUPAC Name:
1-nitroso-1-propylurea
InChI:
InChI=1S/C4H9N3O2/c1-2-3-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)
InChI Key:
YGGSSUISOYLCBF-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)N)N=O
UNII:
240IS3J248
NSC Number:
46792
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.135g/mol
Monoisotopic Mass:
131.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Spontaneous Malignant T-cell Lymphoma in a Young Adult Crl:CD (SD) Rat. | Journal of toxicologic pathology 20100301 |
| Long-term studies on carcinogenicity and promoting effect of phenylbutazone in DONRYU rats. | Journal of the National Cancer Institute 19870901 |
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