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69357-14-8

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Basic Information
CAS No.: 69357-14-8
Name: 2-(nonyloxy)-2-oxo-1-phenylethanaminium chloride
Molecular Structure:
Molecular Structure of 69357-14-8 (2-(nonyloxy)-2-oxo-1-phenylethanaminium chloride)
Formula: C17H27NO2•ClH
Molecular Weight: 313.91
Density: g/cm3
Boiling Point: 371.3°Cat760mmHg
Flash Point: 211.6°C
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl−, HCl and NOx.
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  • (2-nonoxy-2-oxo-1-phenylethyl)azanium chloride

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

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Chemistry

IUPAC Name: (2-Nonoxy-2-oxo-1-phenylethyl)azanium chloride
Synonyms of D,L-2-Phenylglycinenonylesterhydrochlorid (CAS NO.69357-14-8): Benzeneacetic acid, alpha-amino-, nonyl ester, hydrochloride, (+-)- ; Glycine, 2-phenyl-, nonyl ester, hydrochloride, D,L-
InChI: InChI=1/C17H27NO2.ClH/c1-2-3-4-5-6-7-11-14-20-17(19)16(18)15-12-9-8-10-13-15;/h8-10,12-13,16H,2-7,11,14,18H2,1H3;1H
InChIKey: LJTBVZHFFOKABP-UHFFFAOYAS
Std. InChI: InChI=1S/C17H27NO2.ClH/c1-2-3-4-5-6-7-11-14-20-17(19)16(18)15-12-9-8-10-13-15;/h8-10,12-13,16H,2-7,11,14,18H2,1H3;1H
Std. InChIKey: LJTBVZHFFOKABP-UHFFFAOYSA-N
CAS NO: 69357-14-8
Molecular Formula: C17H28ClNO2
Molecular Weight: 313.8627
Molecular Structure :
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 12
Polar Surface Area: 26.3 Å2
Flash Point: 211.6 °C
Enthalpy of Vaporization: 61.83 kJ/mol
Boiling Point: 371.3 °C at 760 mmHg
Vapour Pressure: 1.04E-05 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 249mg/kg (249mg/kg)   Pharmazie. Vol. 33, Pg. 749, 1978.
mouse LD50 intravenous 44mg/kg (44mg/kg)   Pharmazie. Vol. 33, Pg. 749, 1978.

Safety Profile

Poison by intraperitoneal and intravenous routes. When D,L-2-Phenylglycinenonylesterhydrochlorid (CAS NO.69357-14-8) is heated to decomposition, it emits very toxic fumes of Cl−, HCl and NOx.