Propanamide,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]- supplier

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Name
p-Fluoro Fentanyl
EINECS
CAS No. 90736-23-5
Article Data2
CAS DataBase
Density 1.13g/cm³
Solubility
Melting Point 103-105?C
Formula C₂₂H₂₇FN₂O
Boiling Point 479.2 °C at 760 mmHg
Molecular Weight 354.468
Flash Point 243.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 23.55000
LogP 4.21370

Propanamide,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]- 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

Product Name

p-Fluoro Fentanyl

Propanamide,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]- Specification

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