-
Name
2-(octyloxy)-2-oxo-1-phenylethanaminium chloride
- EINECS
- CAS No. 69357-13-7
- Article Data1
- CAS DataBase
- Density g/cm3
- Solubility
- Melting Point
- Formula C16H25NO2•ClH
- Boiling Point 356.2°Cat760mmHg
- Molecular Weight 299.841
- Flash Point 200°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
D,L-2-Phenylglycineoctylesterhydrochlorid Chemical Properties
IUPAC Name: (2-Octoxy-2-oxo-1-phenylethyl)azanium chloride
Synonyms of D,L-2-Phenylglycineoctylesterhydrochlorid (CAS NO.69357-13-7): Benzeneacetic acid, alpha-amino-, octyl ester, hydrochloride, (+-)- ; Glycine, 2-phenyl-, octyl ester, hydrochloride, D,L-
InChI: InChI=1/C16H25NO2.ClH/c1-2-3-4-5-6-10-13-19-16(18)15(17)14-11-8-7-9-12-14;/h7-9,11-12,15H,2-6,10,13,17H2,1H3;1H
InChIKey: PRMJNTKULUEHLL-UHFFFAOYAK
Std. InChI: InChI=1S/C16H25NO2.ClH/c1-2-3-4-5-6-10-13-19-16(18)15(17)14-11-8-7-9-12-14;/h7-9,11-12,15H,2-6,10,13,17H2,1H3;1H
Std. InChIKey: PRMJNTKULUEHLL-UHFFFAOYSA-N
CAS NO: 69357-13-7
Molecular Formula: C16H26ClNO2
Molecular Weight: 299.8361
Molecular Structure : .png)
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 11
Polar Surface Area: 26.3 Å2
Flash Point: 200 °C
Enthalpy of Vaporization: 60.14 kJ/mol
Boiling Point: 356.2 °C at 760 mmHg
Vapour Pressure: 2.98E-05 mmHg at 25°C
D,L-2-Phenylglycineoctylesterhydrochlorid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 229mg/kg (229mg/kg) | Pharmazie. Vol. 33, Pg. 749, 1978. | |
| mouse | LD50 | intravenous | 42mg/kg (42mg/kg) | Pharmazie. Vol. 33, Pg. 749, 1978. |
D,L-2-Phenylglycineoctylesterhydrochlorid Safety Profile
Poison by intraperitoneal and intravenous routes. When D,L-2-Phenylglycineoctylesterhydrochlorid (CAS NO.69357-13-7) is heated to decomposition, it emits very toxic fumes of HCl and NOx.
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