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Basic Information
CAS No.: 62018-92-2
Name: N-BUTYL-N-(2-CARBOXYETHYL)NITROSAMINE
Molecular Structure:
Molecular Structure of 62018-92-2 (N-BUTYL-N-(2-CARBOXYETHYL)NITROSAMINE)
Formula: C7H14N2O3
Molecular Weight: 174.23
Synonyms: N-n-Butyl-N-(2-carboxyethyl)nitrosamin;N-Butyl-N-(2-carboxyethyl)nitrosamine;
Density: 1.14g/cm3
Boiling Point: 359.3°Cat760mmHg
Flash Point: 171.1°C
Safety: Mutation data reported. Many nitrosamines are carcinogens. See also NITROSAMINES. When heated to decomposition it emits toxic fumes of NOx.
PSA: 69.97000
LogP: 1.24460
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Chemistry

IUPAC Name: 3-[butyl(nitroso)amino]propanoic acid 
Empirical Formula: C7H14N2O3
Molecular Weight: 174.1977g/mol
Index of Refraction: 1.494
Molar Refractivity: 44.18 cm3
Molar Volume: 151.6 cm3
Polarizability: 17.51×10-24cm3
Surface Tension: 42.8 dyne/cm
Density: 1.14 g/cm3
Flash Point: 171.1 °C
Enthalpy of Vaporization: 66.45 kJ/mol
Boiling Point: 359.3 °C at 760 mmHg
Vapour Pressure: 3.89E-06 mmHg at 25°C
Canonical SMILES: CCCCN(CCC(=O)O)N=O
InChI: InChI=1S/C7H14N2O3/c1-2-3-5-9(8-12)6-4-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKey: OAGWFRXOYCBVLF-UHFFFAOYSA-N
Structure of beta-Alanine, N-butyl-N-nitroso- (CAS NO.62018-92-2):

Toxicity Data With Reference

1.    

mma-sat 30 µmol/plate

     CNREA8    Cancer Research. 37 (1977),399.

Safety Profile

Mutation data reported. Many nitrosamines are carcinogens. See also NITROSAMINES. When heated to decomposition it emits toxic fumes of NOx.

Specification

  beta-Alanine, N-butyl-N-nitroso- , its cas register number is 62018-92-2. It also can be called BRN 2250318 ; N-Butyl-N-(2-carboxyethyl)nitrosamine . When heated to decomposition it emits toxic fumes of NOx. The storage environment of
 beta-Alanine, N-butyl-N-nitroso- (CAS NO.62018-92-2)should be ventilate, low-temperature and dry.