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69780-83-2

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Basic Information
CAS No.: 69780-83-2
Name: 2-{2-[(2-aminobenzoyl)oxy]ethyl}piperidinium chloride
Molecular Structure:
Molecular Structure of 69780-83-2 (2-{2-[(2-aminobenzoyl)oxy]ethyl}piperidinium chloride)
Formula: C14H20N2O2•ClH
Molecular Weight: 284.786
Boiling Point: 391.6°C at 760 mmHg
Flash Point: 190.6°C
Safety: Poison by subcutaneous, intravenous, and intraspinal routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
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  • 2-{2-[(2-aminobenzoyl)oxy]ethyl}piperidinium chloride

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    2-{2-[(2-aminobenzoyl)oxy]ethyl}piperidinium chloride

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Chemistry

IUPAC Name: 2-Piperidin-1-ium-2-ylethyl 2-aminobenzoate chloride
Synonyms of o-Aminobenzoic acid 2-(2-piperidyl)ethyl ester hydrochloride (CAS NO.63957-38-0): 2-Piperidineethanol, o-aminobenzoate (ester), hydrochloride ; beta-2-Piperidylethyl-o-aminobenzoate hydrochloride ; Benzoic acid, o-amino-, 2-(2-piperidyl)ethyl ester, hydrochloride
InChI: InChI=1/C14H20N2O2.ClH/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11;/h1-2,6-7,11,16H,3-5,8-10,15H2;1H
InChIKey: AOTAYHZDDHTRBZ-UHFFFAOYAL
Std. InChI: InChI=1S/C14H20N2O2.ClH/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11;/h1-2,6-7,11,16H,3-5,8-10,15H2;1H
Std. InChIKey: AOTAYHZDDHTRBZ-UHFFFAOYSA-N
CAS NO: 63957-38-0
Molecular Formula: C20H20N2O14Sb2
Molecular Weight: 755.8978
Molecular Structure :
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 29.54 Å2
Flash Point: 190.6 °C
Enthalpy of Vaporization: 64.12 kJ/mol
Boiling Point: 391.6 °C at 760 mmHg
Vapour Pressure: 2.44E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 153mg/kg (153mg/kg) PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC Anesthesiology. Vol. 1, Pg. 305, 1940.
mouse LDLo subcutaneous 23mg/kg (23mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 1713, 1939.
rabbit LDLo intraspinal 29970ug/kg (29.97mg/kg) PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC Anesthesiology. Vol. 1, Pg. 305, 1940.
rabbit LDLo intravenous 15mg/kg (15mg/kg) PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC Anesthesiology. Vol. 1, Pg. 305, 1940.
rabbit LDLo subcutaneous 150mg/kg (150mg/kg) PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC Anesthesiology. Vol. 1, Pg. 305, 1940.

Safety Profile

Poison by subcutaneous, intravenous, and intraspinal routes. When o-Aminobenzoic acid 2-(2-piperidyl)ethyl ester hydrochloride (CAS NO.63957-38-0) is heated to decomposition, it emits toxic fumes of NOx and HCl. See also ESTERS.