The Molecular Structure of 4-(Butylnitrosamino)butyl acetate (CAS NO.52731-39-2):
Molecular Formula: C10H20N2O3
Molecular Weight: 216.277400 g/mol
Index of Refraction: 1.471
Molar Refractivity: 58.36 cm3
Molar Volume: 208.4 cm3
Surface Tension: 35.7 dyne/cm
Density: 1.03 g/cm3
Flash Point: 159.7 °C
Enthalpy of Vaporization: 58.4 kJ/mol
Boiling Point: 340.4 °C at 760 mmHg
Vapour Pressure: 8.6E-05 mmHg at 25°C
InChI
InChI=1/C10H20N2O3/c1-3-4-7-12(11-14)8-5-6-9-15-10(2)13/h3-9H2,1-2H3
Smiles
N(CCCCOC(C)=O)(CCCC)N=O
Classification Code: Mutation data
The IUPAC of 4-(Butylnitrosamino)butyl acetate (CAS NO.52731-39-2) is 4-[butyl(nitroso)amino]butyl acetate .
1. | mmo-sat 1 µmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 71 (1980),124. | ||
2. | mmo-esc 1 µmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 71 (1980),124. | ||
3. | dnr-bcs 500 nmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 66 (1975),457. | ||
4. | msc-ham:lng 100 µmol/L | GANNA2 Gann. Japanese Journal of Cancer Research. 72 (1981),531. |
Mutation data reported. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
4-(Butylnitrosamino)butyl acetate (CAS NO.52731-39-2) is also called as N-Butyl-N-(4-acetoxybutyl)nitrosamine ; Acetic acid, 4-(butylnitrosamino)butyl ester .
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