Cyclohexanol,2-(4-phenyl-1-piperidinyl)- supplier

Name
(+/-)-VESAMICOL HYDROCHLORIDE
EINECS
CAS No. 22232-64-0
Article Data7
CAS DataBase
Density 1.086g/cm³
Solubility
Melting Point
Formula C₁₇H₂₅NO
Boiling Point 393.5 °C at 760 mmHg
Molecular Weight 259.392
Flash Point 97 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanol,2-(4-phenylpiperidino)- (8CI);2-(4-Phenylpiperidino)cyclohexanol;AH 5183;Vesamicol;
PSA 23.47000
LogP 3.10740

Cyclohexanol,2-(4-phenyl-1-piperidinyl)- Specification

The Cyclohexanol,2-(4-phenyl-1-piperidinyl)-, with CAS registry number 22232-64-0, has the systematic name of (1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexanol. Besides this, it is also called (+/-)-Vesamicol hydrochloride. And the chemical formula of this chemical is C₁₇H₂₅NO.

Physical properties of Cyclohexanol,2-(4-phenyl-1-piperidinyl)-: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.69; (7)ACD/KOC (pH 5.5): 1.25; (8)ACD/KOC (pH 7.4): 33.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 78.37 cm³; (15)Molar Volume: 238.7 cm³; (16)Polarizability: 31.06×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.086 g/cm³; (19)Flash Point: 97 °C; (20)Enthalpy of Vaporization: 67.86 kJ/mol; (21)Boiling Point: 393.5 °C at 760 mmHg; (22)Vapour Pressure: 6.73E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]3CCCC[C@H]3N2CCC(c1ccccc1)CC2
(2)InChI: InChI=1/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1
(3)InChIKey: YSSBJODGIYRAMI-IAGOWNOFBM
(4)Std. InChI: InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1
(5)Std. InChIKey: YSSBJODGIYRAMI-IAGOWNOFSA-N

Product Name

(+/-)-VESAMICOL HYDROCHLORIDE

Cyclohexanol,2-(4-phenyl-1-piperidinyl)- Specification

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