Empirical Formula of 3-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine (CAS NO.63934-40-7): C7H16N2O3
Molecular Weight: 176.2135
Index of Refraction: 1.495
Density: 1.16 g/cm3
Flash Point: 178.8 °C
Enthalpy of Vaporization: 71.64 kJ/mol
Boiling Point: 372.1 °C at 760 mmHg
Vapour Pressure: 4.7E-07 mmHg at 25 °C
Structure of 3-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine (CAS NO.63934-40-7):
IUPAC Name: N-(3-Hydroxybutyl)-N-(2-hydroxypropyl)nitrous amide
Canonical SMILES: CC(CCN(CC(C)O)N=O)O
InChI: InChI=1S/C7H16N2O3/c1-6(10)3-4-9(8-12)5-7(2)11/h6-7,10-11H,3-5H2,1-2H3
InChIKey: FAZINCQLVZSBPE-UHFFFAOYSA-N
1. | mmo-sat 50 µg/plate | MUREAV Mutation Research. 68 (1979),195. |
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition 3-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine (CAS NO.63934-40-7) emits toxic fumes of NOx. See also NITROSAMINES.
3-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine , its cas register number is 63934-40-7. It also can be called 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-2-butanol ; BRN 2082770 ; and 2-Butanol, 4-(N-(2-hydroxypropyl)-N-nitrosoamino)- .
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