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4549-43-3

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Basic Information
CAS No.: 4549-43-3
Name: N-METHYL-N-ALLYLNITROSAMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 4549-43-3 (N-METHYL-N-ALLYLNITROSAMINE)
Formula: C4H8 N2 O
Molecular Weight: 100.12
Synonyms: Allylamine,N-methyl-N-nitroso- (7CI,8CI); Methylallylnitrosamine;N-Nitroso-N-methylallylamine; N-Nitrosomethylallylamine
Density: 0.93g/cm3
Boiling Point: 185.1°Cat760mmHg
Flash Point: 65.8°C
Safety: Poison by ingestion and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 32.67000
LogP: 0.78560
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    2-Propen-1-amine,N-methyl-N-nitroso-

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Chemistry

IUPAC Name: N-methyl-N-prop-2-enylnitrous amide
Synonyms of N-Methyl-N-nitrosoallylamine (CAS NO.4549-43-3): 0-04-00-00218 (Beilstein Handbook Reference) ; Allylmethylnitrosamine ; BRN 1743212 ; Methylallylnitrosamin ; Methylallylnitrosamin [German] ; Methylallylnitrosamine ; N-Methyl-N-nitroso-2-propen-1-amine ;  N-Nitrosoallylmethylamine ; N-Nitrosomethylallylamine ; Nitrosomethylallylamine ;  2-Propen-1-amine, N-methyl-N-nitroso- (9CI) ; Allylamine, N-methyl-N-nitroso-
CAS NO: 4549-43-3 
Molecular Formula of N-Methyl-N-nitrosoallylamine (CAS NO.4549-43-3): C4H8N2O
Molecular Weight: 100.1191
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 32.67 Å2
Index of Refraction: 1.442
Molar Refractivity: 28.46 cm3
Molar Volume: 107.4 cm3
Surface Tension: 30.8 dyne/cm
Density of N-Methyl-N-nitrosoallylamine (CAS NO.4549-43-3): 0.93 g/cm3
Flash Point: 65.8 °C
Enthalpy of Vaporization: 40.41 kJ/mol
Boiling Point: 185.1 °C at 760 mmHg
Vapour Pressure: 0.97 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 320mg/kg (320mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.
rat LD50 oral 340mg/kg (340mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Safety Profile

Poison by ingestion and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.