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760-60-1

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Basic Information
CAS No.: 760-60-1
Name: Urea, N-(2-methylpropyl)-N-nitroso-
Molecular Structure:
Molecular Structure of 760-60-1 (Urea, N-(2-methylpropyl)-N-nitroso-)
Formula: C5H11 N3 O2
Molecular Weight: 145.161
Synonyms: Urea,1-isobutyl-1-nitroso- (7CI,8CI); 1-Isobutyl-1-nitrosourea;N-(2-Methylpropyl)-N-nitrosourea; N-Isobutyl-N-nitrosourea;N-Nitrosoisobutylurea
Density: 1.23g/cm3
Boiling Point: 211°C at 760 mmHg
Flash Point: 81.4°C
Safety: Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 76.75000
LogP: 1.21830
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Chemistry

Empirical Formula of N-Isobutyl-N-nitrosourea (CAS NO.760-60-1): C5H11N3O2
Molecular Weight: 145.1597 
Index of Refraction: 1.519
Density: 1.23 g/cm3
Flash Point: 81.4 °C
Enthalpy of Vaporization: 44.73 kJ/mol
Boiling Point: 211 °C at 760 mmHg
Vapour Pressure: 0.186 mmHg at 25 °C
Structure of N-Isobutyl-N-nitrosourea (CAS NO.760-60-1):
                    
IUPAC Name: 1-(2-Methylpropyl)-1-nitrosourea
Canonical SMILES: CC(C)CN(C(=O)N)N=O
InChI: InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9/h4H,3H2,1-2H3,(H2,6,9)
InChIKey: SRSYSQPJIQFKKN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

     MUREAV    Mutation Research. 68 (1979),1.
2.    

mma-sat 10 µg/plate

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),13.
3.    

cyt-ham:fbr 25 mg/L/48H

     MUREAV    Mutation Research. 48 (1977),337.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition N-Isobutyl-N-nitrosourea (CAS NO.760-60-1) emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Specification

 N-Isobutyl-N-nitrosourea , its cas register number is 760-60-1. It also can be called N-Nitroso-iso-butylurea ; Urea, N-(2-methylpropyl)-N-nitroso- (9CI) ; N-(2-Methylpropyl)-N-nitrosourea ; and 1-Iso-butyl-1-nitrosourea .