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107703-78-6

Basic Information
CAS No.: 107703-78-6
Name: ALPHA-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINEMETHANOL
Article Data: 3
Molecular Structure:
Molecular Structure of 107703-78-6 (ALPHA-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINEMETHANOL)
Formula: C20H25NO
Molecular Weight: 295.425
Synonyms: MDL 11939;
Density: 1.084 g/cm3
Melting Point: 125-128 °C
Boiling Point: 434.2 °C at 760 mmHg
Flash Point: 205.6 °C
Hazard Symbols: N
Risk Codes: 50/53
Safety: 60-61
PSA: 23.47000
LogP: 3.61260
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    MDL 11939

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  • ALPHA-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINEMETHANOL

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    ALPHA-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINEMETHANOL

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The 4-Piperidinemethanol, α-phenyl-1-(2-phenylethyl)-, with the CAS registry number 107703-78-6, is also known as α-phenyl-1-(2-phenylethyl)-4-piperidinemethanol. Its molecular formula is C20H25NO and its IUPAC name is phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol. Additionally, its classification code is Anti-anxiety agent and it's class III antiarrythmic agent.

Other characteristics of the 4-Piperidinemethanol, α-phenyl-1-(2-phenylethyl)- can be summarised as followings: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.15; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 19.54; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 91.14 cm3; (15)Molar Volume: 272.3 cm3; (16)Polarizability: 36.13×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 205.6 °C; (20)Enthalpy of Vaporization: 72.76 kJ/mol; (21)Boiling Point: 434.2 °C at 760 mmHg; (22)Vapour Pressure: 2.62E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OC(c1ccccc1)C3CCN(CCc2ccccc2)CC3
2.InChI: InChI=1/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
3.InChIKey: AXNGJCOYCMDPQG-UHFFFAOYAQ