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| CAS No.: | 63982-40-1 |
|---|---|
| Name: | N,N-dimethyl-3-[(methylcarbamoyl)oxy]anilinium chloride |
| Molecular Structure: | |
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| Formula: | C10H14 N2 O2 . Cl H |
| Molecular Weight: | 230.72 |
| Density: | g/cm3 |
| Boiling Point: | 298°Cat760mmHg |
| Flash Point: | 134°C |
| Safety: | Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES. |
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Chemistry
The Molecular Structure of Methylcarbamic ester of 3-oxyphenyldimethylamine (CAS NO.63982-40-1):.gif)
Molecular Formula: C10H15ClN2O2
Molecular Weight: 230.691300 g/mol
IUPAC: dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
Flash Point: 134 °C
Enthalpy of Vaporization: 53.79 kJ/mol
Boiling Point: 298 °C at 760 mmHg
Vapour Pressure: 0.0013 mmHg at 25°C
CD/LogP: 1.43
ACD/LogD (pH 5.5): 1.42
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 5.5): 7.03
ACD/BCF (pH 7.4): 7.19
ACD/KOC (pH 5.5): 139.66
ACD/KOC (pH 7.4): 142.82
Polar Surface Area: 29.54Å2
Toxicity Data With Reference
| 1. | orl-mus LD50:100 mg/kg | JCSOA9 Journal of the Chemical Society .(London, England.: )1947,182. | ||
| 2. | scu-mus LD50:25 mg/kg | JCSOA9 Journal of the Chemical Society .(London, England.: )1947,182. | ||
| 3. | ivn-mus LD80:15 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB158-508 . |
Safety Profile
Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES.
Specification
Methylcarbamic ester of 3-oxyphenyldimethylamine (CAS NO.63982-40-1) can also be called as AR-12 ; Methylcarbamic ester of 3-oxyphenyldimethylamine hydrochloride ; N-Methylurethane of hydrochloride of 3-dimethylaminophenol ; Carbamic acid, N-methyl-,3-(dimethylamino)phenyl ester,hydrochloride .