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Name |
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2- |
EINECS | N/A |
CAS No. | 2001-91-4 | Density | g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H29NO3•ClH | Boiling Point | 458.8°Cat760mmHg |
Molecular Weight | 367.96 | Flash Point | 231.3°C |
Transport Information | N/A | Appearance | N/A |
Safety | A deadly poison by intramuscular route. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
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:
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. |
A deadly poison by intramuscular route. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
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