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Cas Database |
| Name |
Phenamacide hydrochloride |
EINECS | N/A |
| CAS No. | 31031-74-0 | Density | g/cm3 |
| PSA | 52.32000 | LogP | 3.77800 |
| Solubility | N/A | Melting Point |
154° |
| Formula | C13H19 N O2 . Cl H | Boiling Point | 302.9°Cat760mmHg |
| Molecular Weight | 257.76 | Flash Point | 157.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzeneaceticacid, a-amino-, 3-methylbutyl ester,hydrochloride (9CI); Benzeneacetic acid, a-amino-, 3-methylbutyl ester, hydrochloride, (?à)-; Aklonin; Aklonine;Phenamacide hydrochloride |
Article Data | 1 |
Phenamacide hydrochloride Chemical Properties
Empirical Formula of Phenamacide hydrochloride (CAS NO.31031-74-0): C13H20ClNO2
Molecular Weight: 257.7564 g/mol
Flash Point: 157.9 °C
Enthalpy of Vaporization: 54.32 kJ/mol
Boiling Point: 302.9 °C at 760 mmHg
Vapour Pressure: 0.00096 mmHg at 25 °C
Structure of Phenamacide hydrochloride (CAS NO.31031-74-0):
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IUPAC Name: [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride
Canonical SMILES: CC(C)CCOC(=O)C(C1=CC=CC=C1)[NH3+].[Cl-]
InChI: InChI=1S/C13H19NO2.ClH/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H
InChIKey: PPBQUBHHPSGLBN-UHFFFAOYSA-N
Phenamacide hydrochloride Toxicity Data With Reference
| 1. | orl-mus LD50:2600 mg/kg | PHARAT Pharmazie. 33 (1978),749. | ||
| 2. | ipr-mus LD50:415 mg/kg | PHARAT Pharmazie. 30 (1975),765. | ||
| 3. | ivn-mus LD50:77 mg/kg | PHARAT Pharmazie. 33 (1978),749. |
Phenamacide hydrochloride Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition Phenamacide hydrochloride (CAS NO.31031-74-0) emits very toxic fumes of Cl− and NOx.
Phenamacide hydrochloride Specification
Phenamacide hydrochloride , its cas register number is 31031-74-0. It also can be called 2-Phenylglycine isopentyl ester hydrochloride ; Phenylaminoacetic acid isoamyl ester hydrochloride ; and Isopentyl 2-phenylglycinate hydrochloride .
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