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61445-55-4

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Basic Information
CAS No.: 61445-55-4
Name: N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 61445-55-4 (N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID)
Formula: C5H10 N2 O3
Molecular Weight: 146.146
Synonyms: N-Methyl-N-(3-carboxypropyl)nitrosamine
Density: 1.22g/cm3
Melting Point: >25 °C
Boiling Point: 364°C at 760 mmHg
Flash Point: 173.9°C
Safety: Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
PSA: 69.97000
LogP: 0.46440
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Chemistry

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:

Uses

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.

Toxicity Data With Reference

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.

Safety Profile

Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.