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69357-10-4

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Basic Information
CAS No.: 69357-10-4
Name: 2-oxo-2-(pentyloxy)-1-phenylethanaminium chloride
Molecular Structure:
Molecular Structure of 69357-10-4 (2-oxo-2-(pentyloxy)-1-phenylethanaminium chloride)
Formula: C13H19NO2•ClH
Molecular Weight: 257.79
Density: g/cm3
Boiling Point: 308.5°Cat760mmHg
Flash Point: 162.4°C
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
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  • (2-oxo-2-pentoxy-1-phenylethyl)azanium chloride

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    (2-oxo-2-pentoxy-1-phenylethyl)azanium chloride

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Chemistry

IUPAC Name: (2-Oxo-2-pentoxy-1-phenylethyl)azanium chloride
Synonyms of D,L-2-Phenylglycinepentylesterhydrochlorid (CAS NO.69357-10-4): Benzeneacetic acid, alpha-amino-, pentyl ester, hydrochloride, (+-)- ; Glycine, 2-phenyl-, pentyl ester, hydrochloride, D,L-
InChI: InChI=1/C13H19NO2.ClH/c1-2-3-7-10-16-13(15)12(14)11-8-5-4-6-9-11;/h4-6,8-9,12H,2-3,7,10,14H2,1H3;1H
InChIKey: OVWDPYKNWWDVMT-UHFFFAOYAO
Std. InChI: InChI=1S/C13H19NO2.ClH/c1-2-3-7-10-16-13(15)12(14)11-8-5-4-6-9-11;/h4-6,8-9,12H,2-3,7,10,14H2,1H3;1H
Std. InChIKey: OVWDPYKNWWDVMT-UHFFFAOYSA-N
CAS NO: 69357-10-4
Molecular Formula: C13H20ClNO2
Molecular Weight: 257.7564
Molecular Structure :  
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 26.3 Å2
Flash Point: 162.4 °C
Enthalpy of Vaporization: 54.92 kJ/mol
Boiling Point: 308.5 °C at 760 mmHg
Vapour Pressure: 0.000678 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 418mg/kg (418mg/kg)   Pharmazie. Vol. 33, Pg. 749, 1978.
mouse LD50 intravenous 69mg/kg (69mg/kg)   Pharmazie. Vol. 33, Pg. 749, 1978.

Safety Profile

Poison by intraperitoneal and intravenous routes. When D,L-2-Phenylglycinepentylesterhydrochlorid (CAS NO.69357-10-4) is heated to decomposition ,it emits very toxic fumes of NOx and HCl.