IUPAC Name: N-(2-Diethylaminoethyl)-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)benzamide hydrochloride
Synonyms of N-(2-(Diethylamino)ethyl)-2,2',4,4',6,6'-hexamethylbenzanilide hydrochloride (CAS NO.39367-89-0): beta-Isodurylamide, N-(2-(diethylamino)ethyl)-N-mesityl-, hydrochloride ; Benzanilide, N-(2-(diethylamino)ethyl)-2,2',4,4',6,6'-hexamethyl-, hydrochloride
InChI: InChI=1/C25H36N2O.ClH/c1-9-26(10-2)11-12-27(24-21(7)15-18(4)16-22(24)8)25(28)23-19(5)13-17(3)14-20(23)6;/h13-16H,9-12H2,1-8H3;1H
InChIKey: ICCGGPCHGZEKOO-UHFFFAOYAE
Std. InChI: InChI=1S/C25H36N2O.ClH/c1-9-26(10-2)11-12-27(24-21(7)15-18(4)16-22(24)8)25(28)23-19(5)13-17(3)14-20(23)6;/h13-16H,9-12H2,1-8H3;1H
Std. InChIKey: ICCGGPCHGZEKOO-UHFFFAOYSA-N
CAS NO: 39367-89-0
Molecular Formula: C25H37ClN2O
Molecular Weight: 417.0271
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 23.55 Å2
Flash Point: 204.4 °C
Enthalpy of Vaporization: 79.96 kJ/mol
Boiling Point: 525.5 °C at 760 mmHg
Vapour Pressure: 3.92E-11 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 700mg/kg (700mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
rat | LD50 | intraperitoneal | 210mg/kg (210mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When N-(2-(Diethylamino)ethyl)-2,2',4,4',6,6'-hexamethylbenzanilide hydrochloride (CAS NO.39367-89-0) is heated to decomposition, it emits very toxic fumes of HCl and NOx.
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