1-Pyridin-4-ylpiperidin-4-one supplier

Name
1-Pyridin-4-ylpiperidin-4-one
EINECS
CAS No. 126832-81-3
Article Data12
CAS DataBase
Density 1.164 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂N₂O
Boiling Point 340.797 °C at 760 mmHg
Molecular Weight 176.218
Flash Point 159.908 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(4-Pyridinyl)-4-piperidone;1-(4-Pyridyl)-4-piperidone;1-(pyridin-2-yl)piperidin-4-one;
PSA 33.20000
LogP 1.31590

1-Pyridin-4-ylpiperidin-4-one Specification

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

Product Name

1-Pyridin-4-ylpiperidin-4-one

1-Pyridin-4-ylpiperidin-4-one Specification

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