-
Name
2-oxo-2-(pentyloxy)-1-phenylethanaminium chloride
- EINECS
- CAS No. 69357-10-4
- Density g/cm3
- Solubility
- Melting Point
- Formula C13H19NO2•ClH
- Boiling Point 308.5°Cat760mmHg
- Molecular Weight 257.79
- Flash Point 162.4°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
D,L-2-Phenylglycinepentylesterhydrochlorid Chemical Properties
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 : .png)
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
D,L-2-Phenylglycinepentylesterhydrochlorid 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. |
D,L-2-Phenylglycinepentylesterhydrochlorid 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.
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