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55621-29-9

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Basic Information
CAS No.: 55621-29-9
Name: N-BUTYL-N-(2-HYDROXYBUTYL)NITROSAMINE
Molecular Structure:
Molecular Structure of 55621-29-9 (N-BUTYL-N-(2-HYDROXYBUTYL)NITROSAMINE)
Formula: C8H18 N2 O2
Molecular Weight: 174.243
Synonyms: (2-Hydroxybutyl)-n-butylnitrosamine;N-Nitroso-N-(2-hydroxybutyl)butylamine
Density: 1.02g/cm3
Boiling Point: 309.3°Cat760mmHg
Flash Point: 140.8°C
Safety: Mutation data reported. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
PSA: 52.90000
LogP: 1.54080
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Chemistry

IUPAC Name : N-butyl-N-(2-hydroxybutyl)nitrous amide 
Empirical Formula: C8H18N2O2
Molecular Weight: 174.2407g/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: 1.02 g/cm3
Flash Point: 140.8 °C
Enthalpy of Vaporization: 63.78 kJ/mol
Boiling Point: 309.3 °C at 760 mmHg
Vapour Pressure: 5.86E-05 mmHg at 25°C
Canonical SMILES: CCCCN(CC(CC)O)N=O
InChI: InChI=1S/C8H18N2O2/c1-3-5-6-10(9-12)7-8(11)4-2/h8,11H,3-7H2,1-2H3
InChIKey: BWHWPDPMUUTEAZ-UHFFFAOYSA-N
Structure of N-Butyl-N-(2-hydroxybutyl)nitrosamine (CAS NO.55621-29-9):

Toxicity Data With Reference

1.    

mma-sat 4 µmol/plate

     CNREA8    Cancer Research. 37 (1977),399.

Safety Profile

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

Specification

  N-Butyl-N-(2-hydroxybutyl)nitrosamine , its cas register number is 55621-29-9. It also can be called BRN 2244575 ; 2-Butanol, 1-(butylnitrosoamino)- . When heated to decomposition it emits toxic fumes of NOx.