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p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride

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p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride

EINECS N/A
CAS No. 78329-88-1 Density g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C22H34N2O3•ClH Boiling Point 499.4°Cat760mmHg
Molecular Weight 411.04 Flash Point 255.8°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by intraperitoneal and subcutaneous routes. A severe eye irritant. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 78329-88-1 (1-(2-{[4-(butoxycarbonyl)phenyl](butyl)amino}-2-oxoethyl)piperidinium chloride) Hazard Symbols N/A
Synonyms

N/A

 

p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride Chemical Properties

IUPAC Name: 1-Amino-1-imino-2-sulfosulfanylethane
Synonyms of  p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride (CAS NO.78329-88-1): Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride
InChI: InChI=1/C22H34N2O3.ClH/c1-3-5-16-24(21(25)18-23-14-8-7-9-15-23)20-12-10-19(11-13-20)22(26)27-17-6-4-2;/h10-13H,3-9,14-18H2,1-2H3;1H
CAS NO: 78329-88-1
Molecular Formula: C22H35ClN2O3
Molecular Weight : 410.9779
Molecular Structure:
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 46.61 Å2
Flash Point: 255.8 °C
Enthalpy of Vaporization: 76.78 kJ/mol
Boiling Point: 499.4 °C at 760 mmHg
Vapour Pressure: 4.16E-10 mmHg at 25°C

p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 3750mg/kg (3750mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958.
rat LD50 intraperitoneal 480mg/kg (480mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958.

p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. A severe eye irritant. See also ESTERS. When p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride (CAS NO.78329-88-1) is heated to decomposition, it emits very toxic fumes of NOx and HCl.

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