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122861-41-0

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Basic Information
CAS No.: 122861-41-0
Name: Despropionyl p-Fluoro Fentanyl
Article Data: 2
Molecular Structure:
Molecular Structure of 122861-41-0 (Despropionyl p-Fluoro Fentanyl)
Formula: C19H23FN2
Molecular Weight: 298.403
Synonyms: N-(4-Fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine;Despropionyl p-fluoro fentanyl;
EINECS: 604-604-1
Density: 1.126 g/cm3
Boiling Point: 424.346 °C at 760 mmHg
Flash Point: 210.437 °C
PSA: 15.27000
LogP: 3.95560
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Specification

The 4-Piperidinamine, N-(4-fluorophenyl)-1-(2-phenylethyl)-, with the CAS registry number 122861-41-0, is also known as Despropionyl p-fluoro fentanyl. This chemical's molecular formula is C19H23FN2 and molecular weight is 298.4. What's more, its systematic name is N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine.

Physical properties of 4-Piperidinamine, N-(4-fluorophenyl)-1-(2-phenylethyl)- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 15.27 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 89.66 cm3; (15)Molar Volume: 264.94 cm3; (16)Polarizability: 35.544×10-24cm3; (17)Surface Tension: 45.568 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 210.437 °C; (20)Enthalpy of Vaporization: 67.882 kJ/mol; (21)Boiling Point: 424.346 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)NC3CCN(CCc2ccccc2)CC3
(2)InChI: InChI=1S/C19H23FN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2
(3)InChIKey: WWDHLOLWLHHFBH-UHFFFAOYSA-N