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101651-66-5

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Basic Information
CAS No.: 101651-66-5
Name: (2-chlorophenyl)carbamoylmethyl-methyl-[2-(3,4,5,6-tetrahydro-2H-pyrid in-1-yl)ethyl]azanium dichloride
Molecular Structure:
Molecular Structure of 101651-66-5 ((2-chlorophenyl)carbamoylmethyl-methyl-[2-(3,4,5,6-tetrahydro-2H-pyrid in-1-yl)ethyl]azanium dichloride)
Formula: C16H24 Cl N3 O . 2 Cl H
Molecular Weight: 382.80
Synonyms: Acetamide,N-(2-chlorophenyl)-2-[methyl[2-(1-piperidinyl)ethyl]amino]-, dihydrochloride(9CI); Acetanilide, 2'-chloro-2-[methyl(2-piperidinoethyl)amino]-,dihydrochloride (6CI)
Boiling Point: 467°C at 760 mmHg
Flash Point: 236.2°C
Safety: Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 78.14000
LogP: 8.17120
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Chemistry

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 

Toxicity Data With Reference

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.

Safety Profile

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.