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| CAS No.: | 90736-23-5 |
|---|---|
| Name: | p-Fluoro Fentanyl |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C22H27FN2O |
| Molecular Weight: | 354.468 |
| Synonyms: | N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide;p-Fluoro Fentanyl;4-fluorofentanyl;PropanaMide,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-;N-(4-Fluorophenyl)-N-(1-phenethylpiperidin-4-yl)propionaMide |
| Density: | 1.13g/cm3 |
| Melting Point: | 103-105?C |
| Boiling Point: | 479.2 °C at 760 mmHg |
| Flash Point: | 243.6 °C |
| PSA: | 23.55000 |
| LogP: | 4.21370 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The Propanamide,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-, with CAS registry number 90736-23-5, belongs to the following product categories: (1)Aromatics; (2)Heterocycles; (3)Intermediates & Fine Chemicals; (4)Pharmaceuticals. It has the systematic name of N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide. And the chemical formula of this chemical is C22H27FN2O.
Physical properties of Propanamide,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 1.21; (6)ACD/BCF (pH 7.4): 39.18; (7)ACD/KOC (pH 5.5): 6.12; (8)ACD/KOC (pH 7.4): 198.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 103.65 cm3; (15)Molar Volume: 313.6 cm3; (16)Polarizability: 41.09×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 243.6 °C; (20)Enthalpy of Vaporization: 74.35 kJ/mol; (21)Boiling Point: 479.2 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)N(C(=O)CC)C3CCN(CCc2ccccc2)CC3
(2)InChI: InChI=1/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
(3)InChIKey: KXUBAVLIJFTASZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
(5)Std. InChIKey: KXUBAVLIJFTASZ-UHFFFAOYSA-N