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571147-27-8

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Basic Information
CAS No.: 571147-27-8
Name: 1-((Quinolin-2-yl)methyl)piperidin-4-one
Molecular Structure:
Molecular Structure of 571147-27-8 (1-((Quinolin-2-yl)methyl)piperidin-4-one)
Formula: C15H16N2O
Molecular Weight: 240.30
Synonyms: 1-((Quinolin-2-yl)methyl)piperidin-4-one
Density: 1.204 g/cm3
Boiling Point: 399.07 °C at 760 mmHg
Flash Point: 195.151 °C
PSA: 33.20000
LogP: 2.33760
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Specification

The CAS register number of 1-((Quinolin-2-yl)methyl)piperidin-4-one is 571147-27-8. The systematic name about this chemical is 1-(quinolin-2-ylmethyl)piperidin-4-one. The molecular formula about this chemical is C15H16N2O and molecular weight is 240.30.

Physical properties about 1-((Quinolin-2-yl)methyl)piperidin-4-one are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 3; (5)ACD/KOC (pH 5.5): 5; (6)ACD/KOC (pH 7.4): 74; (7)#H bond acceptors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 33.2Å2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 71.856 cm3; (12)Molar Volume: 199.655 cm3; (13)Polarizability: 28.486x10-24cm3; (14)Surface Tension: 56.129 dyne/cm; (15)Enthalpy of Vaporization: 64.974 kJ/mol; (16)Boiling Point: 399.07 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3CCN(Cc1nc2c(cc1)cccc2)CC3
(2)InChI: InChI=1/C15H16N2O/c18-14-7-9-17(10-8-14)11-13-6-5-12-3-1-2-4-15(12)16-13/h1-6H,7-11H2
(3)InChIKey: CDWVSLBYEKADAY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C15H16N2O/c18-14-7-9-17(10-8-14)11-13-6-5-12-3-1-2-4-15(12)16-13/h1-6H,7-11H2
(5)Std. InChIKey: CDWVSLBYEKADAY-UHFFFAOYSA-N