Product Name

  • Name

    4-[(2-hydroxypropyl)(nitroso)amino]butan-1-ol

  • EINECS
  • CAS No. 63934-41-8
  • Density 1.16g/cm3
  • Solubility
  • Melting Point
  • Formula C7H16 N2 O3
  • Boiling Point 373.8°C at 760 mmHg
  • Molecular Weight 176.216
  • Flash Point 179.9°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63934-41-8 (4-[(2-hydroxypropyl)(nitroso)amino]butan-1-ol)
  • Hazard Symbols
  • Synonyms
  • PSA 73.13000
  • LogP 0.12310

4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine Chemical Properties

Product Name: 4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine (CAS NO.63934-41-8)


Molecular Formula: C7H16N2O3
Molecular Weight: 176.25g/mol
Mol File: 63934-41-8.mol
Boiling point: 373.8 °C at 760 mmHg
Flash Point: 179.9 °C
Density: 1.16 g/cm3
Surface Tension: 42.8 dyne/cm
Enthalpy of Vaporization: 71.86 kJ/mol
Vapour Pressure: 4.08E-07 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of 4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine (CAS NO.63934-41-8):
  IUPAC Name: N-(4-hydroxybutyl)-N-(2-hydroxypropyl)nitrous amide
  Canonical SMILES: CC(CN(CCCCO)N=O)O
  InChI: InChI=1S/C7H16N2O3/c1-7(11)6-9(8-12)4-2-3-5-10/h7,10-11H,2-6H2,1H3 
  InChIKey: JDASGOBKLOSKDM-UHFFFAOYSA-N

4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

     MUREAV    Mutation Research. 68 (1979),195.

4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine Safety Profile

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

4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine Specification

 4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine , its CAS NO. is 63934-41-8, the synonyms are 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol ; BRN 2082793 ; 1-Butanol, 4-(N-(2-hydroxypropyl)-N-nitrosoamino)- .

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