-
Name
Fenaperone
- EINECS
- CAS No. 54063-38-6
- Density 1.19g/cm3
- Solubility
- Melting Point
- Formula C21H29 F N2 O3
- Boiling Point 512.4°Cat760mmHg
- Molecular Weight 376.52
- Flash Point 263.7°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Fenaperone
- PSA 49.85000
- LogP 3.75130
Fenaperone Chemical Properties
Molecule structure of Fenaperone (CAS NO.54063-38-6) :
IUPAC Name: cyclohexyl 4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxylate
Molecular Weight: 376.464963 g/mol
Molecular Formula: C21H29FN2O3
Density: 1.19 g/cm3
Boiling Point: 512.4 °C at 760 mmHg
Flash Point: 263.7 °C
Index of Refraction: 1.558
Molar Refractivity: 101.95 cm3
Molar Volume: 315.8 cm3
Polarizability: 40.41*10-24 cm3
Surface Tension: 48.7 dyne/cm
Enthalpy of Vaporization: 78.36 kJ/mol
Vapour Pressure: 1.3E-10 mmHg at 25 °C
XLogP3-AA: 3.5
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 376.216221
MonoIsotopic Mass: 376.216221
Topological Polar Surface Area: 49.9
Heavy Atom Count: 27
Complexity: 480
Canonical SMILES: C1CCC(CC1)OC(=O)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H29FN2O3/c22-18-10-8-17(9-11-18)20(25)7-4-12-23-13-15-24(16-14-23)21(26)27-19-5-2-1-3-6-19/h8-11,19H,1-7,12-16H2
InChIKey of Fenaperone (CAS NO.54063-38-6) : OCHNIEZVJROLLV-UHFFFAOYSA-N
Fenaperone Toxicity Data With Reference
| 1. | orl-rat LD50:1080 mg/kg | DRFUD4 Drugs of the Future. 3 (1978),734. | ||
| 2. | orl-mus LD50:872 mg/kg | DRFUD4 Drugs of the Future. 3 (1978),734. |
Fenaperone Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F− and NOx.
Fenaperone Specification
Fenaperone (CAS NO.54063-38-6) is also called 4-[3-(4-Fluorobenzoyl)propyl]-1-piperazinecarboxylic acid cyclohexyl ester ; 4-[3-(p-Fluorobenzoyl)propyl]-1-piperazinecarboxylic acid cyclohexyl ester ; MD-67332 .
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