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CAS No.: | 122861-41-0 |
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Name: | Despropionyl p-Fluoro Fentanyl |
Article Data: | 2 |
Molecular Structure: | |
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 |
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