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CAS No.: | 117896-69-2 |
---|---|
Name: | 1-PHENYLPIPERIDIN-4-OL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H15NO |
Molecular Weight: | 177.246 |
Synonyms: | 1-Phenylpiperidin-4-ol; |
Density: | 1.116 g/cm3 |
Melting Point: | 69-70℃ |
Boiling Point: | 314 °C at 760 mmHg |
Flash Point: | 160.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 23.47000 |
LogP: | 1.71270 |
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The 4-Piperidinol, 1-phenyl-, with the CAS registry number of 117896-69-2, is also known as 1-Phenylpiperidin-4-ol 98 %. This chemical's molecular formula is C11H15NO and molecular weight is 177.24. What's more, its systematic name is called 1-Phenylpiperidin-4-ol. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Piperidinol, 1-phenyl- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 4.3; (6)ACD/BCF (pH 7.4): 7.36; (7)ACD/KOC (pH 5.5): 84.62; (8)ACD/KOC (pH 7.4): 144.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 52.65 cm3; (15)Molar Volume: 158.6 cm3; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.116 g/cm3; (18)Flash Point: 160.9 °C; (19)Enthalpy of Vaporization: 58.61 kJ/mol; (20)Boiling Point: 314 °C at 760 mmHg; (21)Vapour Pressure: 0.000204 mmHg at 25 °C.
Preparation of 4-Piperidinol, 1-phenyl-: this chemical is prepared by But-3-enyl-tert-butylperoxymethyl-phenyl-amine at ambient temperature. The reaction needs reagent aq. CF3CO2H and solvent Diethyl ether. The yield is about 50 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OC2CCN(c1ccccc1)CC2
(2) InChI: InChI=1/C11H15NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
(3) InChIKey: FMHLUYMKOSEANZ-UHFFFAOYAS