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CAS No.: | 331978-27-9 |
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Name: | 1-(Pyridin-3-ylmethyl)piperidine-3-methanol |
Molecular Structure: | |
Formula: | C12H18N2O |
Molecular Weight: | 206.29 |
Synonyms: | 1-(PYRIDIN-3-YLMETHYL)PIPERIDINE-3-METHANOL |
Density: | 1.099 g/cm3 |
Boiling Point: | 316.9 °C at 760 mmHg |
Flash Point: | 145.5 °C |
PSA: | 36.36000 |
LogP: | 1.22380 |
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The 1-(Pyridin-3-ylmethyl)piperidine-3-methanol is an organic compound with the formula C12H18N2O. The systematic name of this chemical is [1-(3-pyridylmethyl)-3-piperidyl]methanol. With the CAS registry number 331978-27-9, it is also named as 3-piperidinemethanol, 1-(3-pyridinylmethyl)-.
Physical properties about 1-(Pyridin-3-ylmethyl)piperidine-3-methanol are: (1)ACD/LogP: 0.05; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 36.36 Å2; (6)Index of Refraction: 1.553; (7)Molar Refractivity: 60.11 cm3; (8)Molar Volume: 187.6 cm3; (9)Polarizability: 23.83×10-24cm3; (10)Surface Tension: 47 dyne/cm; (11)Density: 1.099 g/cm3; (12)Flash Point: 145.5 °C; (13)Enthalpy of Vaporization: 58.94 kJ/mol; (14)Boiling Point: 316.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cnc1)CN2CCCC(C2)CO
(2)InChI: InChI=1/C12H18N2O/c15-10-12-4-2-6-14(9-12)8-11-3-1-5-13-7-11/h1,3,5,7,12,15H,2,4,6,8-10H2
(3)InChIKey: FNXJMDSDUPCAOP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H18N2O/c15-10-12-4-2-6-14(9-12)8-11-3-1-5-13-7-11/h1,3,5,7,12,15H,2,4,6,8-10H2
(5)Std. InChIKey: FNXJMDSDUPCAOP-UHFFFAOYSA-N