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Name	N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine	EINECS	N/A
CAS No.	79448-03-6	Density	1.16g/cm³
PSA	85.27000	LogP	0.87620
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₈N₂O₅	Boiling Point	378.7°Cat760mmHg
Molecular Weight	246.2	Flash Point	182.8°C
Transport Information	N/A	Appearance	N/A
Safety	Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NO_x. See also NITROSAMINES and ESTERS.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine;Mceabn;methyl 3-(4-acetyloxybutyl-nitrosoamino)propanoate;

N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine Chemical Properties

IUPAC Name: Methyl 3-[4-acetyloxybutyl(nitroso)amino]propanoate
Synonyms of N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine (CAS NO.79448-03-6): Mceabn ; beta-Alanine, N-(4-hydroxybutyl)-N-nitroso-, methyl ester, acetate
InChI: InChI=1/C10H18N2O5/c1-9(13)17-8-4-3-6-12(11-15)7-5-10(14)16-2/h3-8H2,1-2H3
InChIKey: KXLRIZIEOMOUDZ-UHFFFAOYAL
Std. InChI: InChI=1S/C10H18N2O5/c1-9(13)17-8-4-3-6-12(11-15)7-5-10(14)16-2/h3-8H2,1-2H3
Std. InChIKey: KXLRIZIEOMOUDZ-UHFFFAOYSA-N
CAS NO: 79448-03-6
Molecular Formula: C₁₀H₁₈N₂O₅
Molecular Weight: 246.2603
Molecular Structure :
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 85.27 Å²
Index of Refraction: 1.482
Molar Refractivity: 60.6 cm³
Molar Volume: 212.2 cm³
Surface Tension: 40.2 dyne/cm
Density: 1.16 g/cm³
Flash Point: 182.8 °C
Enthalpy of Vaporization: 62.66 kJ/mol
Boiling Point: 378.7 °C at 760 mmHg
Vapour Pressure: 6.17E-06 mmHg at 25°C

N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine Toxicity Data With Reference

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 500 nmol/plate	GANNA2 Gann. Japanese Journal of Cancer Research. 71 (1980),124.

N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine Safety Profile

Mutation data reported. Many N-nitroso compounds are carcinogens. When N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine (CAS NO.79448-03-6) is heated to decomposition, it emits toxic fumes of NO_x. See also NITROSAMINES and ESTERS.

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