IUPAC Name: 4-[methyl(nitroso)amino]butanoic acid
Synonyms of N-Methyl-N-(3-carboxypropyl)nitros-amine (CAS NO.61445-55-4): 4-(N-Nitroso-N-methylamino)butyric acid ; BRN 2245230 ; CCRIS 1123 ; N-Methyl-N-(3-carboxypropyl)nitrosamine ; N-Nitrosomethyl-3-carboxypropylamine ; Butyric acid, 4-(methylnitrosoamino)-
CAS NO: 61445-55-4
Molecular Formula of N-Methyl-N-(3-carboxypropyl)nitros-amine (CAS NO.61445-55-4): C5H10N2O3
Molecular Weight: 146.1445
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 58.97 Å2
Index of Refraction: 1.497
Molar Refractivity: 34.96 cm3
Molar Volume: 119.3 cm3
Surface Tension: 45.9 dyne/cm
Density of N-Methyl-N-(3-carboxypropyl)nitros-amine (CAS NO.61445-55-4): 1.22 g/cm3
Flash Point: 173.9 °C
Enthalpy of Vaporization: 67.01 kJ/mol
Boiling Point: 364 °C at 760 mmHg
Vapour Pressure: 2.74E-06 mmHg at 25°C
Molecular Structure:
The occurence of N-nitrosamino acids are highly correlated with levels of tobacco-specific N-ni .This N-nitrosamino acid has been isolated and identified in various types of tobacco, inlcluding snuff, and so on.
1. | mma-sat 48 µmol/plate | CNREA8 Cancer Research. 37 (1977),399. | ||
2. | mmo-smc 16,260 mg/L | IAPUDO IARC Publications. 57 (1984),721. | ||
3. | orl-rat TDLo:6800 mg/kg/57W-I:ETA | JJIND8 JNCI, Journal of the National Cancer Institute. 70 (1983),959. | ||
4. | par-rat TDLo:4500 mg/kg/30W-I:NEO | JJCREP Japanese Journal of Cancer Research (Gann). 79 (1988),309. |
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
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