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61734-90-5

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Basic Information
CAS No.: 61734-90-5
Name: N-BUTYL-N-(3-OXOBUTYL)NITROSAMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 61734-90-5 (N-BUTYL-N-(3-OXOBUTYL)NITROSAMINE)
Formula: C8H16N2O2
Molecular Weight: 172.227
Synonyms: N-butyl-N-nitroso-2-oxobutylamine;N-n-Butyl-N-(2-oxobutyl)nitrosamin;N-butyl-N-(2-oxobutyl)nitrosamine;N-BUTYL-N-(3-OXOBUTYL)NITROSAMINE;
Density: 1.01g/cm3
Boiling Point: 292.7°C at 760 mmHg
Flash Point: 130.8°C
Safety: Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
PSA: 49.74000
LogP: 1.74900
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Chemistry

IUPAC Name: N-butyl-N-(2-oxobutyl)nitrous amide 
Empirical Formula: C8H16N2O2
Molecular Weight: 172.2248g/mol
Index of Refraction: 1.475
Molar Refractivity: 47.75 cm3
Molar Volume: 169.6 cm3
Polarizability: 18.93×10-24cm3
Surface Tension: 35.2 dyne/cm
Density: 1.01 g/cm3
Flash Point: 130.8 °C
Enthalpy of Vaporization: 53.22 kJ/mol
Boiling Point: 292.7 °C at 760 mmHg
Vapour Pressure: 0.0018 mmHg at 25°C
Canonical SMILES: CCCCN(CC(=O)CC)N=O
InChI: InChI=1S/C8H16N2O2/c1-3-5-6-10(9-12)7-8(11)4-2/h3-7H2,1-2H3
InChIKey: PSHQOARTDNZNHE-UHFFFAOYSA-N
Structure of N-Butyl-N-(3-oxobutyl)nitrosamine (CAS NO.61734-90-5):

Toxicity Data With Reference

1.    

mma-sat 4 µmol/plate

     CNREA8    Cancer Research. 37 (1977),399.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Specification

  N-Butyl-N-(3-oxobutyl)nitrosamine , its cas register number is 61734-90-5. It also can be called BRN 2246430 ; N-Butyl-N-(2-oxobutyl)nitrosamine ; N-Nitroso-N-(3-oxobutyl)butylamine . When heated to decomposition it emits toxic fumes of NOx. N-Butyl-N-(3-oxobutyl)nitrosamine (CAS NO.61734-90-5) is a toxic substance. And the storage environment should be ventilate, low-temperature and dry.