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CAS No.: | 206753-46-0 |
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Name: | 1-(4-METHOXY-PHENYL)-PIPERIDIN-2-ONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H15NO2 |
Molecular Weight: | 205.257 |
Synonyms: | 1-(4-Methoxyphenyl)piperidin-2-one; |
Density: | 1.127 g/cm3 |
Boiling Point: | 423.784 °C at 760 mmHg |
Flash Point: | 210.097 °C |
PSA: | 29.54000 |
LogP: | 2.27710 |
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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