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IUPAC Name: [Butan-2-yl(nitroso)amino]methyl acetate
Synonyms of sec-Butyl acetoxymethyl nitrosamine (CAS NO.56986-37-9): N-sec-Butyl-N-(acetoxymethyl)nitrosamine ; sec-Butyl-acetoxymethyl-nitrosamine ; Acetic acid, (sec-butylnitrosaminomethyl) ester ; Methanol, ((1-methylpropyl)nitrosoamino)-, acetate (ester) (9CI)
InChI: InChI=1/C7H14N2O3/c1-4-6(2)9(8-11)5-12-7(3)10/h6H,4-5H2,1-3H3
CAS NO: 56986-37-9
Molecular Formula: C7H14N2O3
Molecular Weight : 174.1977
Molecular Structure:
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 58.97 Å2
Index of Refraction: 1.469
Molar Refractivity: 44.35 cm3
Molar Volume: 159.1 cm3
Surface Tension: 34.7 dyne/cm
Density: 1.09 g/cm3
Flash Point: 120.4 °C
Enthalpy of Vaporization: 51.39 kJ/mol
Boiling Point: 275.5 °C at 760 mmHg
Vapour Pressure: 0.00509 mmHg at 25°C
1. | mmo-sat 1 µmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 66 (1975),457. | ||
2. | cyt-ham:fbr 63 mg/L/48H | MUREAV Mutation Research. 48 (1977),337. | ||
3. | dnr-bcs 500 nmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 66 (1975),457. | ||
4. | mmo-esc 25 µmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 70 (1979),663. |
Mutation data reported. Many nitrosamines are carcinogens. When sec-Butyl acetoxymethyl nitrosamine (CAS NO.56986-37-9) is heated to decomposition, it emits toxic fumes of NOx. See also NITROSAMINES.