1-Methylpiperidin-3-one supplier

Name
1-Methylpiperidin-3-one
EINECS 825-673-5
CAS No. 5519-50-6
Article Data12
CAS DataBase
Density 0.993 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO
Boiling Point 165.058 °C at 760 mmHg
Molecular Weight 113.159
Flash Point 49.207 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Piperidinone, 1-methyl-;1-Methyl-3-piperidinone;
PSA 20.31000
LogP 0.21900

1-Methylpiperidin-3-one Specification

The 1-Methylpiperidin-3-one, with the CAS registry number 5519-50-6, is also called 1-Methyl-3-piperidinone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₁₁NO.

The characteristics of 1-Methylpiperidin-3-one are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 10.793; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 20.31 Å²; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 31.464 cm³; (12)Molar Volume: 114.006 cm³; (13)Polarizability: 12.473×10^-24cm³; (14)Surface Tension: 32.487 dyne/cm; (15)Density: 0.993 g/cm³; (16)Flash Point: 49.207 °C; (17)Enthalpy of Vaporization: 40.156 kJ/mol; (18)Boiling Point: 165.058 °C at 760 mmHg; (19)Vapour Pressure: 1.908 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CN1CCCC(=O)C1
(2)InChI: InChI=1/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-5H2,1H3
(3)InChIKey: SIKTVUHUQZNEPY-UHFFFAOYAR

Product Name

1-Methylpiperidin-3-one

1-Methylpiperidin-3-one Specification

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