IUPAC Name: N-(2-Chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide hydrochloride
Synonyms of o-Chloro-2-(methyl(2-(pyrrolidinyl)ethyl)amino)propionanilide dihydrochloride (CAS NO.102129-03-3): Propionanilide, o-chloro-2-(methyl(2-(pyrrolidinyl)ethyl)amino)-, dihydrochloride
InChI: InChI=1/C16H24ClN3O.ClH/c1-13(19(2)11-12-20-9-5-6-10-20)16(21)18-15-8-4-3-7-14(15)17;/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,21);1H
InChIKey: JDEHCCQTAYIQQB-UHFFFAOYAS
Std. InChI: InChI=1S/C16H24ClN3O.ClH/c1-13(19(2)11-12-20-9-5-6-10-20)16(21)18-15-8-4-3-7-14(15)17;/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,21);1H
Std. InChIKey: JDEHCCQTAYIQQB-UHFFFAOYSA-N
CAS NO: 102129-03-3
Molecular Formula: C16H25Cl2N3O
Molecular Weight: 346.2952
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 26.79 Å2
Flash Point: 231.7 °C
Enthalpy of Vaporization: 72 kJ/mol
Boiling Point: 459.5 °C at 760 mmHg
Vapour Pressure: 1.26E-08 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 855mg/kg (855mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. | |
rat | LD50 | intraperitoneal | 112mg/kg (112mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. |
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When o-Chloro-2-(methyl(2-(pyrrolidinyl)ethyl)amino)propionanilide dihydrochloride (CAS NO.102129-03-3) is heated to decomposition ,it emits very toxic fumes of NOx and Cl−.
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