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| Name |
Fenaperone |
EINECS | N/A |
| CAS No. | 54063-38-6 | Density | 1.19g/cm3 |
| PSA | 49.85000 | LogP | 3.75130 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H29 F N2 O3 | Boiling Point | 512.4°Cat760mmHg |
| Molecular Weight | 376.52 | Flash Point | 263.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Fenaperone |
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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