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102129-03-3

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Basic Information
CAS No.: 102129-03-3
Name: N-(2-chlorophenyl)-N~2~-methyl-N~2~-(2-pyrrolidin-1-ylethyl)alaninamide hydrochloride
Molecular Structure:
Molecular Structure of 102129-03-3 (N-(2-chlorophenyl)-N~2~-methyl-N~2~-(2-pyrrolidin-1-ylethyl)alaninamide hydrochloride)
Formula: C16H24 Cl N3 O . Cl H
Molecular Weight: 382.80
Synonyms: Propanamide,N-(2-chlorophenyl)-2-[methyl[2-(1-pyrrolidinyl)ethyl]amino]-, monohydrochloride(9CI)
Boiling Point: 459.5°C at 760 mmHg
Flash Point: 231.7°C
Safety: Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
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  • Propanamide,N-(2-chlorophenyl)-2-[methyl[2-(1-pyrrolidinyl)ethyl]amino]-, hydrochloride(1:1)

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    102129-03-3

    Propanamide,N-(2-chlorophenyl)-2-[methyl[2-(1-pyrrolidinyl)ethyl]amino]-, hydrochloride(1:1)

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

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−.