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The Molecular Structure of Acetylmethylnitrosourea (CAS NO.28895-91-2):
Molecular Formula: C4H7N3O3
Molecular Weight: 145.116680 g/mol
Classification: Mutation data;Tumor data
IUPAC: N-[methyl(nitroso)carbamoyl]acetamide
Nominal Mass: 145 Da
Average Mass: 145.1167 Da
Monoisotopic Mass: 145.048741 Da
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -1.1
ACD/LogD (pH 7.4): -1.1
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 5.97
ACD/KOC (pH 7.4): 5.97
Polar Surface Area: 70.05Å2
Index of Refraction: 1.532
Molar Refractivity: 33.22 cm3
Molar Volume: 107.1 cm3
Surface Tension: 49.7 dyne/cm
Density: 1.35 g/cm3
InChI: InChI=1/C4H7N3O3/c1-3(8)5-4(9)7(2)6-10/h1-2H3,(H,5,8,9)
Smiles: C(NC(=O)C)(N(N=O)C)=O
1. | cyt-ham:fbr 500 mg/L/20H | MUREAV Mutation Research. 48 (1977),337. | ||
2. | orl-rat LD50:200 mg/kg | XENOBH Xenobiotica. 3 (1973),271. |
Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Acetylmethylnitrosourea (CAS NO.28895-91-2) is also called as 1-Methyl-1-nitrosoacetylurea ; 4-04-00-03385 (Beilstein Handbook Reference) ; Acetyl-methyl-nitroso-harnstoff ; Acetyl-methyl-nitroso-harnstoff [German] ; BRN 1770935 ; N'-Acetyl-methylnitrosourea ; N-Methyl-N-nitroso-N'-acetylurea ; Urea, 1-methyl-1-nitrosoacetyl- ; Urea, 3-acetyl-1-methyl-1-nitroso- .