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414889-63-7

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Basic Information
CAS No.: 414889-63-7
Name: 1-(3-Pyridinylmethyl)-4-piperidinol
Molecular Structure:
Molecular Structure of 414889-63-7 (1-(3-Pyridinylmethyl)-4-piperidinol)
Formula: C11H16N2O
Molecular Weight: 192.26
Synonyms: 1-(3-PYRIDINYLMETHYL)-4-PIPERIDINOL
Density: 1.157 g/cm3
Boiling Point: 347.2 °C at 760 mmHg
Flash Point: 163.8 °C
PSA: 36.36000
LogP: 0.97620
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Specification

The 1-(3-Pyridinylmethyl)-4-piperidinol with its cas register number is 414889-63-7. The Systematic name about this chemical is 1-(pyridin-3-ylmethyl)piperidin-4-ol.

Physical properties about 1-(3-Pyridinylmethyl)-4-piperidinol are: (1)ACD/LogP: -0.58; (2)ACD/LogD (pH 5.5): -2.57; (3)ACD/LogD (pH 7.4): -0.94; (4)ACD/BCF (pH 5.5): 1; (5)CD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.07; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 25.36Å2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 55.47 cm3; (14)Molar Volume: 166 cm3; (15)Polarizability: 21.99x10-24cm3; (16)Surface Tension: 54.6 dyne/cm; (17)Enthalpy of Vaporization: 62.41 kJ/mol; (18)Vapour Pressure: 2.07E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC2CCN(Cc1cnccc1)CC2
(2)InChI: InChI=1/C11H16N2O/c14-11-3-6-13(7-4-11)9-10-2-1-5-12-8-10/h1-2,5,8,11,14H,3-4,6-7,9H2
(3)InChIKey: AUODTTICNNQAGC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H16N2O/c14-11-3-6-13(7-4-11)9-10-2-1-5-12-8-10/h1-2,5,8,11,14H,3-4,6-7,9H2
(5)Std. InChIKey: AUODTTICNNQAGC-UHFFFAOYSA-N