IUPAC Name: Methyl 3-[acetyloxymethyl(nitroso)amino]propanoate
Synonyms of N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)nitrosamine (CAS NO.70103-81-0): Mceamn ; beta-Alanine, N-(hydroxymethyl)-N-nitroso-, methyl ester, acetate
InChI: InChI=1/C7H12N2O5/c1-6(10)14-5-9(8-12)4-3-7(11)13-2/h3-5H2,1-2H3
InChIKey: NOXABEWFXNGEIV-UHFFFAOYAI
Std. InChI: InChI=1S/C7H12N2O5/c1-6(10)14-5-9(8-12)4-3-7(11)13-2/h3-5H2,1-2H3
Std. InChIKey: NOXABEWFXNGEIV-UHFFFAOYSA-N
CAS NO: 70103-81-0
Molecular Formula: C7H12N2O5
Molecular Weight: 204.1806
Molecular Structure :
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 85.27 Å2
Index of Refraction: 1.482
Molar Refractivity: 46.77 cm3
Molar Volume: 163.9 cm3
Surface Tension: 42.6 dyne/cm
Density: 1.24 g/cm3
Flash Point: 159.8 °C
Enthalpy of Vaporization: 58.41 kJ/mol
Boiling Point: 340.6 °C at 760 mmHg
Vapour Pressure: 8.52E-05 mmHg at 25°C
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. | mrc-bcs 100 nmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 71 (1980),124. |
Mutation data reported. Many N-nitroso compounds are carcinogens. When N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)nitrosamine (CAS NO.70103-81-0) is heated to decomposition, it emits toxic fumes of NOx. See also ESTERS and NITROSAMINES.
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