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69357-11-5

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Basic Information
CAS No.: 69357-11-5
Name: 2-(hexyloxy)-2-oxo-1-phenylethanaminium chloride
Molecular Structure:
Molecular Structure of 69357-11-5 (2-(hexyloxy)-2-oxo-1-phenylethanaminium chloride)
Formula: C14H21NO2•ClH
Molecular Weight: 271.82
Density: g/cm3
Boiling Point: 324.8°Cat760mmHg
Flash Point: 175.4°C
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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  • dl-2-PHENYLGLYCINEHEXYLESTERHYDRO-CHLORIDE

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  • dl-2-PHENYLGLYCINEHEXYLESTERHYDRO-CHLORIDE

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Chemistry

IUPAC Name: (2-Hexoxy-2-oxo-1-phenylethyl)azanium chloride
Synonyms of D,L-2-Phenylglycinehexylesterhydrochlorid (CAS NO.69357-11-5): Benzeneacetic acid, alpha-amino-, hexyl ester, hydrochloride, (+-)- ; Glycine, 2-phenyl-, hexyl ester, hydrochloride, D,L-
InChI: InChI=1/C14H21NO2.ClH/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12;/h5-7,9-10,13H,2-4,8,11,15H2,1H3;1H
InChIKey: DQJNPAWGHDHKFT-UHFFFAOYAI
Std. InChI: InChI=1S/C14H21NO2.ClH/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12;/h5-7,9-10,13H,2-4,8,11,15H2,1H3;1H
Std. InChIKey: DQJNPAWGHDHKFT-UHFFFAOYSA-N
CAS NO: 69357-11-5
Molecular Formula: C14H22ClNO2
Molecular Weight: 271.783
Molecular Structure :
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 9
Polar Surface Area: 26.3Å2
Flash Point: 175.4 °C
Enthalpy of Vaporization: 56.68 kJ/mol
Boiling Point: 324.8 °C at 760 mmHg
Vapour Pressure: 0.00024 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   Pharmazie. Vol. 33, Pg. 749, 1978.
mouse LD50 intravenous 50mg/kg (50mg/kg)   Pharmazie. Vol. 33, Pg. 749, 1978.

Safety Profile

Poison by intraperitoneal and intravenous routes. When D,L-2-Phenylglycinehexylesterhydrochlorid (CAS NO.69357-11-5) is heated to decomposition ,it emits very toxic fumes of HCl and NOx.