2-Piperidinone,1-(4-methoxyphenyl)- supplier

Name
1-(4-METHOXY-PHENYL)-PIPERIDIN-2-ONE
EINECS
CAS No. 206753-46-0
Article Data3
CAS DataBase
Density 1.127 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 423.784 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 210.097 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Methoxyphenyl)piperidin-2-one;
PSA 29.54000
LogP 2.27710

2-Piperidinone,1-(4-methoxyphenyl)- Specification

The 2-Piperidinone,1-(4-methoxyphenyl)-, with the CAS registry number 206753-46-0, is also known as 1-(4-Methoxy-phenyl)-piperidin-2-one. This chemical's molecular formula is C₁₂H₁₅NO₂ and molecular weight is 205.253. What's more, its systematic name is called 1-(4-Methoxyphenyl)piperidin-2-one.

Physical properties about 2-Piperidinone,1-(4-methoxyphenyl)- are: (1) ACD/LogP: 2.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 13; (6) ACD/BCF (pH 7.4): 13; (7) ACD/KOC (pH 5.5): 219; (8) ACD/KOC (pH 7.4): 219; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.54 Å²; (13) Index of Refraction: 1.548; (14) Molar Refractivity: 57.878 cm³; (15) Molar Volume: 182.201 cm³; (16) Surface Tension: 42.269 dyne/cm; (17) Density: 1.127 g/cm³; (18) Flash Point: 210.097 °C; (19) Enthalpy of Vaporization: 67.817 kJ/mol; (20) Boiling Point: 423.784 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1)N2CCCCC2=O
(2) InChI: InChI=1/C12H15NO2/c1-15-11-7-5-10(6-8-11)13-9-3-2-4-12(13)14/h5-8H,2-4,9H2,1H3
(3) InChIKey: CZRGCZUCMQLTCA-UHFFFAOYAI

Product Name

1-(4-METHOXY-PHENYL)-PIPERIDIN-2-ONE

2-Piperidinone,1-(4-methoxyphenyl)- Specification

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