IUPAC Name: Diethyl-[2-[(2,4,6-trimethylphenoxy)carbonylamino]ethyl]azanium chloride
Synonyms of N-(2-(Diethylamino)ethyl)carbamic acid mesityl ester hydrochloride (CAS NO.77985-24-1): Carbamic acid, N-(2-(diethylamino)ethyl)-, mesityl ester, hydrochloride
InChI: InChI=1/C16H26N2O2.ClH/c1-6-18(7-2)9-8-17-16(19)20-15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H
InChIKey: WVWQWZBQKGSYLX-UHFFFAOYAW
Std. InChI: InChI=1S/C16H26N2O2.ClH/c1-6-18(7-2)9-8-17-16(19)20-15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H
Std. InChIKey: WVWQWZBQKGSYLX-UHFFFAOYSA-N
CAS NO: 77985-24-1
Molecular Formula: C16H27ClN2O2
Molecular Weight: 314.8508
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 29.54 Å2
Flash Point: 180.4 °C
Enthalpy of Vaporization: 62.21 kJ/mol
Boiling Point: 374.7 °C at 760 mmHg
Vapour Pressure: 8.22E-06 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 178mg/kg (178mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
rat | LD50 | intraperitoneal | 62mg/kg (62mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
Poison by intraperitoneal and subcutaneous routes. See also CARBAMATES. When N-(2-(Diethylamino)ethyl)carbamic acid mesityl ester hydrochloride (CAS NO.77985-24-1) is heated to decomposition ,it emits very toxic fumes of NOx and HCl.
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