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CAS No.: | 126832-81-3 |
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Name: | 1-Pyridin-4-ylpiperidin-4-one |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H12N2O |
Molecular Weight: | 176.218 |
Synonyms: | 1-(4-Pyridinyl)-4-piperidone;1-(4-Pyridyl)-4-piperidone;1-(pyridin-2-yl)piperidin-4-one; |
Density: | 1.164 g/cm3 |
Boiling Point: | 340.797 °C at 760 mmHg |
Flash Point: | 159.908 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 33.20000 |
LogP: | 1.31590 |
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The 4-Piperidinone,1-(4-pyridinyl)-, with the CAS registry number 126832-81-3, has the systematic name of 1-(pyridin-2-yl)piperidin-4-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H12N2O.
The characteristics of 4-Piperidinone,1-(4-pyridinyl)- are as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.16; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.2 Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 49.29 cm3; (13)Molar Volume: 151.4 cm3; (14)Polarizability: 19.54×10-24cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.163 g/cm3; (17)Flash Point: 159.9 °C; (18)Enthalpy of Vaporization: 58.44 kJ/mol; (19)Boiling Point: 340.8 °C at 760 mmHg; (20)Vapour Pressure: 8.4E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCN(CC1)c2ncccc2
(2)InChI: InChI=1/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2
(3)InChIKey: CSNJUQMJDHNKHI-UHFFFAOYAI