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Acetylmethylnitrosourea

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Name

Acetylmethylnitrosourea

EINECS N/A
CAS No. 28895-91-2 Density 1.35g/cm3
PSA 82.33000 LogP 0.69600
Solubility N/A Melting Point N/A
Formula C4H7 N3 O3 Boiling Point °Cat760mmHg
Molecular Weight 145.118 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 28895-91-2 (NMETHYLNNITROSONACETYLUREA) Hazard Symbols N/A
Synonyms

Urea,3-acetyl-1-methyl-1-nitroso- (6CI,8CI); 1-Methyl-3-acetyl-1-nitrosourea;N-Methyl-N-nitroso-N'-acetylurea; N-Methyl-N'-acetyl-N-nitrosourea

 

Acetylmethylnitrosourea Chemical Properties

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

Acetylmethylnitrosourea Toxicity Data With Reference

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.

Acetylmethylnitrosourea Safety Profile

Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Acetylmethylnitrosourea Specification

 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- .

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