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690631-99-3

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Basic Information
CAS No.: 690631-99-3
Name: (PIPERIDINO-3-PYRIDINYL)METHANOL
Molecular Structure:
Molecular Structure of 690631-99-3 ((PIPERIDINO-3-PYRIDINYL)METHANOL)
Formula: C11H16N2O
Molecular Weight: 192.26
Synonyms: 6-Piperidin-1-yl-3-(hydroxymethyl)pyridine;(6-Piperidin-1-ylpyridin-3-yl)methanol;
Density: 1.139 g/cm3
Melting Point: 70 °C
Boiling Point: 388.4 °C at 760 mmHg
Flash Point: 188.7 °C
Hazard Symbols: IrritantXi
PSA: 36.36000
LogP: 1.62920
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Specification

The 3-Pyridinemethanol,6-(1-piperidinyl)-, with the CAS registry number 690631-99-3, is also known as 6-Piperidin-1-yl-3-(hydroxymethyl)pyridine. This chemical's molecular formula is C11H16N2O and formula weight is 192.26. What's more, its IUPAC name is (6-piperidin-1-ylpyridin-3-yl)methanol. 

Physical properties of 3-Pyridinemethanol,6-(1-piperidinyl)- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 3.46; (8)ACD/KOC (pH 7.4): 56.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 55.61 cm3; (15)Molar Volume: 168.7 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.139 g/cm3; (18)Flash Point: 188.7 °C; (19)Enthalpy of Vaporization: 67.24 kJ/mol; (20)Boiling Point: 388.4 °C at 760 mmHg; (21)Vapour Pressure: 9.99E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(ccc1N2CCCCC2)CO
(2)InChI: InChI=1S/C11H16N2O/c14-9-10-4-5-11(12-8-10)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7,9H2
(3)InChIKey: VLAMDMADWWGEDH-UHFFFAOYSA-N