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N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)nitrosamine

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Name

N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)nitrosamine

EINECS N/A
CAS No. 70103-81-0 Density 1.24g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C7H12N2O5 Boiling Point 340.6°Cat760mmHg
Molecular Weight 204.15 Flash Point 159.8°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 NOx. See also ESTERS and NITROSAMINES. Risk Codes N/A
Molecular Structure Molecular Structure of 70103-81-0 (methyl 3-{[(acetyloxy)methyl](nitroso)amino}propanoate) Hazard Symbols N/A
Synonyms

N/A

 

N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)nitrosamine Chemical Properties

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 

N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)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 100 nmol/plate

    GANNA2    Gann. Japanese Journal of Cancer Research. 71 (1980),124.

N-(2-Methoxycarbonylethyl)-N-(acetoxymethyl)nitrosamine Safety Profile

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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