4-Piperidinemethanol, α-phenyl-1-(2-phenylethyl)- supplier

Name
ALPHA-PHENYL-1-(2-PHENYLETHYL)-4-PIPERIDINEMETHANOL
EINECS
CAS No. 107703-78-6
Article Data3
CAS DataBase
Density 1.084 g/cm³
Solubility
Melting Point 125-128 °C
Formula C₂₀H₂₅NO
Boiling Point 434.2 °C at 760 mmHg
Molecular Weight 295.425
Flash Point 205.6 °C
Transport Information
Appearance
Safety 60-61
Risk Codes 50/53
Molecular Structure
Hazard Symbols N
Synonyms MDL 11939;
PSA 23.47000
LogP 3.61260

4-Piperidinemethanol, α-phenyl-1-(2-phenylethyl)- 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

Product Name

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

4-Piperidinemethanol, α-phenyl-1-(2-phenylethyl)- Specification

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