-
Name
(1-ethylpyrrolidin-2-yl)methyl cyclopentyl(hydroxy)phenylacetate hydrochloride (1:1)
- EINECS
- CAS No. 2001-91-4
- Density g/cm3
- Solubility
- Melting Point
- Formula C20H29NO3•ClH
- Boiling Point 458.8°Cat760mmHg
- Molecular Weight 367.96
- Flash Point 231.3°C
- Transport Information
- Appearance
- Safety A deadly poison by intramuscular route. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2- Chemical Properties
Product Name: Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochloride
CAS Registry Number: 2001-91-4
Synonyms: (1-Ethyl-2-pyrrolidinyl)methyl alpha-cyclopentyl-alpha-hydroxybenzeneacetate hydrochloride
IUPAC Name: (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate hydrochloride
Molecular Weight: 367.9101 [g/mol]
Molecular Formula: C20H30ClNO3
H-Bond Donor: 2
H-Bond Acceptor: 4
Flash Point: 231.3 °C
Enthalpy of Vaporization: 75.78 kJ/mol
Boiling Point: 458.8 °C at 760 mmHg
Vapour Pressure: 3.27E-09 mmHg at 25°C
Following is the molecular structure of Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochloride (CAS NO.2001-91-4) is:
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2- Toxicity Data With Reference
| 1. | ims-rat LD50:614 µg/kg | BJPCBM British Journal of Pharmacology. 39 (1970),822. | ||
| 2. | ims-mus LD50:896 µg/kg | BJPCBM British Journal of Pharmacology. 39 (1970),822. | ||
| 3. | ims-gpg LD50:175 µg/kg | BJPCBM British Journal of Pharmacology. 39 (1970),822. |
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2- Safety Profile
A deadly poison by intramuscular route. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2- Specification
Descriptors computed from structure, you can know some information about Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochloride (CAS NO.2001-91-4) :
Canonical SMILES: CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl
InChI: InChI=1S/C20H29NO3.ClH/c1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16;/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3;1H
InChIKey: ZYHGAQAAQHWBGF-UHFFFAOYSA-N
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