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| CAS No.: | 91271-61-3 |
|---|---|
| Name: | [2-(piperidin-1-ylmethyl)phenyl]methanol |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C13H19NO |
| Molecular Weight: | 205.30 |
| Synonyms: | Benzylalcohol, o-(piperidinomethyl)- (7CI);(2-Piperidin-1-Yl-Methyl-Phenyl)-Methanol Hydrochloride;(2-Piperidin-1-ylmethyl-phenyl)-methanol; |
| Density: | 1.082 g/cm3 |
| Melting Point: | 72-73 °C |
| Boiling Point: | 319.6 °C at 760 mmHg |
| Flash Point: | 146.5 °C |
| PSA: | 23.47000 |
| LogP: | 2.10270 |
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- Total:23 Page 1 of 1 1
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Specification
The (2-(Piperidin-1-ylmethyl)phenyl)methanol, with the cas registry number 91271-61-3, is also called (2-Piperidin-1-Yl-Methyl-Phenyl)-Methanol Hydrochloride. And the molecular formula of the chemical is C13H19NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 62.24 cm3; (9)Molar Volume: 189.6 cm3; (10)Polarizability: 24.67×10-24cm3; (11)Surface Tension: 46.8 dyne/cm; (12)Density: 1.082 g/cm3; (13)Flash Point: 146.5 °C; (14)Enthalpy of Vaporization: 59.24 kJ/mol; (15)Boiling Point: 319.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00014 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc1c(cccc1)CN2CCCCC2
(2)InChI: InChI=1/C13H19NO/c15-11-13-7-3-2-6-12(13)10-14-8-4-1-5-9-14/h2-3,6-7,15H,1,4-5,8-11H2
(3)InChIKey: KZSCBYKUUQJGNN-UHFFFAOYAM