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CAS No.: | 107703-78-6 |
---|---|
Name: | ALPHA-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINEMETHANOL |
Article Data: | 3 |
Molecular Structure: | |
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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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