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CAS No.: | 22232-64-0 |
---|---|
Name: | (+/-)-VESAMICOL HYDROCHLORIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C17H25NO |
Molecular Weight: | 259.392 |
Synonyms: | Cyclohexanol,2-(4-phenylpiperidino)- (8CI);2-(4-Phenylpiperidino)cyclohexanol;AH 5183;Vesamicol; |
Density: | 1.086g/cm3 |
Boiling Point: | 393.5 °C at 760 mmHg |
Flash Point: | 97 °C |
PSA: | 23.47000 |
LogP: | 3.10740 |
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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