IUPAC Name: [2-(2-Chloroanilino)-2-oxoethyl]-[2-(dimethylazaniumyl)ethyl]-methylazanium dichloride
Synonyms of o-Chloro-2-(methyl(2-(dimethylamino)ethyl)amino)acetanilide dihydrochloride (CAS NO.101651-65-4): Acetanilide, o-chloro-2-(methyl(2-(dimethylamino)ethyl)amino)-, dihydrochloride
InChI: InChI=1/C13H20ClN3O.2ClH/c1-16(2)8-9-17(3)10-13(18)15-12-7-5-4-6-11(12)14;;/h4-7H,8-10H2,1-3H3,(H,15,18);2*1H
InChIKey: XELBOPHJKRXBEN-UHFFFAOYAL
Std. InChI: InChI=1S/C13H20ClN3O.2ClH/c1-16(2)8-9-17(3)10-13(18)15-12-7-5-4-6-11(12)14;;/h4-7H,8-10H2,1-3H3,(H,15,18);2*1H
Std. InChIKey: XELBOPHJKRXBEN-UHFFFAOYSA-N
CAS NO: 101651-65-4
Molecular Formula: C13H22Cl3N3O
Molecular Weight: 342.6923
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 20.31 Å2
Flash Point: 193.3 °C
Enthalpy of Vaporization: 64.63 kJ/mol
Boiling Point: 396.1 °C at 760 mmHg
Vapour Pressure: 1.76E-06 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 1280mg/kg (1280mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. | |
rat | LD50 | intraperitoneal | 240mg/kg (240mg/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-(dimethylamino)ethyl)amino)acetanilide dihydrochloride (CAS NO.101651-65-4) is heated to decomposition ,it emits very toxic fumes of Cl− and NOx.
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