-
Name
3-(pyrrolidin-1-yl)propyl (2,5-dimethylphenyl)(hydroxy)phenylacetate hydrochloride (1:1)
- EINECS
- CAS No. 55798-64-6
- Density g/cm3
- Solubility
- Melting Point
- Formula C23H29NO3•ClH
- Boiling Point 485°Cat760mmHg
- Molecular Weight 403.99
- Flash Point 247.1°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and intravenous routes. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx and HCl.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Benzilic acid, 3-(2,5-dimethyl-1-pyrrol-idinyl)propyl ester, hydrochloride Chemical Properties
Molecular Structure of Benzilic acid, 3-(2,5-dimethyl-1-pyrrol-idinyl)propyl ester, hydrochloride (CAS NO. 55798-64-6):
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IUPAC Name: 3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetate hydrochloride
Empirical Formula: C23H30ClNO3
Molecular Weight: 403.9422
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 9
Polar Surface Area: 49.77 Å2
Flash Point: 249.4 °C
Enthalpy of Vaporization: 79.51 kJ/mol
Boiling Point: 488.7 °C at 760 mmHg
Vapour Pressure: 2.29E-10 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Benzilic acid, 3-(2,5-dimethyl-1-pyrrol-idinyl)propyl ester, hydrochloride Toxicity Data With Reference
| 1. | ipr-mus LD50:77 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 9 (1974),404. | ||
| 2. | ivn-mus LD50:8500 µg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 9 (1974),404. |
Benzilic acid, 3-(2,5-dimethyl-1-pyrrol-idinyl)propyl ester, hydrochloride Safety Profile
Poison by intraperitoneal and intravenous routes. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Benzilic acid, 3-(2,5-dimethyl-1-pyrrol-idinyl)propyl ester, hydrochloride Specification
Benzilic acid, 3-(2,5-dimethyl-1-pyrrol-idinyl)propyl ester, hydrochloride , its CAS number is 6898-43-7, it can be called 3-(2,5-Dimethylpyrrolidin-1-yl)propyl hydroxy(diphenyl)acetate hydrochloride (1:1) and benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 3-(2,5-dimethyl-1-pyrrolidinyl)propyl ester, hydrochloride (1:1) .
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