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CAS No.: | 80710-25-4 |
---|---|
Name: | 1-Phenylpiperidin-3-ol |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H15NO |
Molecular Weight: | 177.246 |
Synonyms: | 1-Phenyl-3-piperidinol; |
Density: | 1.116 g/cm3 |
Boiling Point: | 314 °C at 760 mmHg |
Flash Point: | 160.9 °C |
PSA: | 23.47000 |
LogP: | 1.71270 |
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The 1-Phenylpiperidin-3-ol, with the CAS registry number 80710-25-4, is also known as 1-Phenyl-3-piperidinol. This chemical's molecular formula is C11H15NO and molecular weight is 177.24. Its systematic name is called 1-phenylpiperidin-3-ol.
Physical properties of 1-Phenylpiperidin-3-ol: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 3.21; (6)ACD/BCF (pH 7.4): 5.09; (7)ACD/KOC (pH 5.5): 70.11; (8)ACD/KOC (pH 7.4): 111.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 52.65 cm3; (14)Molar Volume: 158.6 cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.116 g/cm3; (17)Flash Point: 160.9 °C; (18)Enthalpy of Vaporization: 58.61 kJ/mol; (19)Boiling Point: 314 °C at 760 mmHg; (20)Vapour Pressure: 0.000204 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCN(C1)c2ccccc2
(2)InChI: InChI=1/C11H15NO/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
(3)InChIKey: VPUSWNUKNDRGNW-UHFFFAOYAU