IUPAC Name: [2-(2-Chloroanilino)-2-oxoethyl]-methyl-(2-piperidin-1-ium-1-ylethyl)azanium dichloride
Synonyms of o-Chloro-2-(methyl(2-(piperidino)ethyl)amino)acetanilide dihydrochloride (CAS NO.101651-66-5): Acetanilide, o-chloro-2-(methyl(2-(piperidino)ethyl)amino)-,dihydrochloride
InChI: InChI=1/C16H24ClN3O.2ClH/c1-19(11-12-20-9-5-2-6-10-20)13-16(21)18-15-8-4-3-7-14(15)17;;/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,18,21);2*1H
InChIKey: VDRBPOQUXKJSTF-UHFFFAOYAE
Std. InChI: InChI=1S/C16H24ClN3O.2ClH/c1-19(11-12-20-9-5-2-6-10-20)13-16(21)18-15-8-4-3-7-14(15)17;;/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,18,21);2*1H
Std. InChIKey: VDRBPOQUXKJSTF-UHFFFAOYSA-N
CAS NO: 101651-66-5
Molecular Formula: C16H26Cl3N3O
Molecular Weight: 382.7561
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 20.31 Å2
Flash Point: 236.2 °C
Enthalpy of Vaporization: 72.88 kJ/mol
Boiling Point: 467 °C at 760 mmHg
Vapour Pressure: 6.78E-09 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 590mg/kg (590mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. | |
rat | LD50 | intraperitoneal | 124mg/kg (124mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. |
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When o-Chloro-2-(methyl(2-(piperidino)ethyl)amino)acetanilide dihydrochloride (CAS NO.101651-66-5) is heated to decomposition ,it emits very toxic fumes of Cl− and NOx.
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