The Molecular Structure of Allylcarbamic ester of m-oxyphenylidimethylamine hydrochloride (CAS NO.63884-80-0):
Molecular Formula: C12H17ClN2O2
Molecular Weight: 256.728580 g/mol
IUPAC: dimethyl-[3-(prop-2-enylcarbamoyloxy)phenyl]azanium chloride
Nominal Mass: 256 Da
Average Mass: 256.7286 Da
Monoisotopic Mass: 256.097855 Da
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.25
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 5.5): 29.93
ACD/BCF (pH 7.4): 30.6
ACD/KOC (pH 5.5): 394.01 ACD/KOC (pH 7.4): 402.76
Polar Surface Area: 29.54Å2
Flash Point: 153 °C
Enthalpy of Vaporization: 57.18 kJ/mol
Boiling Point: 329.3 °C at 760 mmHg
Vapour Pressure: 0.000179 mmHg at 25°C
1. | orl-mus LDLo:500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 43 (1931),413. | ||
2. | ivn-mus LD50:150 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . |
Poison by intravenous route. Moderately toxic by ingestion. See also ALLYL COMPOUNDS, ESTERS, and CARBAMATES. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Allylcarbamic ester of m-oxyphenylidimethylamine hydrochloride (CAS NO.63884-80-0) is also called as AR-19 ; hydrochloride ; Carbamic acid, N-allyl-, 3-dimethylaminophenyl ester, hydrochloride .
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