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| CAS No.: | 697306-45-9 |
|---|---|
| Name: | (1-Phenyl-4-piperidyl)Methanol |
| Molecular Structure: | |
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| Formula: | C12H17NO |
| Molecular Weight: | 191.273 |
| Synonyms: | 4-Piperidinemethanol, 1-phenyl-; |
| Density: | 1.061 g/cm3 |
| Boiling Point: | 327.221 °C at 760 mmHg |
| Flash Point: | 162.998 °C |
| PSA: | 23.47000 |
| LogP: | 1.96030 |
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- Total:31 Page 1 of 1 1
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Specification
(1-Phenyl-4-piperidinyl)methanol is an organic compound with the formula C12H17NO, and its systematic name is the same with the product name. With the CAS registry number 697306-45-9, it is also named as 4-Piperidinemethanol, 1-phenyl-. In addition, the molecular weight is 191.27.
Physical properties of (1-Phenyl-4-piperidinyl)methanol are: (1)ACD/LogP: 1.682; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 10.74; (7)ACD/KOC (pH 5.5): 46.47; (8)ACD/KOC (pH 7.4): 188.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 57.298 cm3; (15)Molar Volume: 180.272 cm3; (16)Polarizability: 22.715×10-24cm3; (17)Surface Tension: 40.88 dyne/cm; (18)Density: 1.061 g/cm3; (19)Flash Point: 162.998 °C; (20)Enthalpy of Vaporization: 60.117 kJ/mol; (21)Boiling Point: 327.221 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1CCN(CC1)c2ccccc2
(2)Std. InChI: InChI=1S/C12H17NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,14H,6-10H2
(3)Std. InChIKey: TXXOCHYAPLXLKC-UHFFFAOYSA-N