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| CAS No.: | 173186-91-9 |
|---|---|
| Name: | 1-BENZYL-3,3-DIMETHYL-PIPERIDIN-4-ONE |
| Molecular Structure: | |
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| Formula: | C14H19NO |
| Molecular Weight: | 217.311 |
| Synonyms: | N-Benzyl-3, 3-dimethyl-4-piperidone; |
| Density: | 1.031 g/cm3 |
| Boiling Point: | 317.995 °C at 760 mmHg |
| Flash Point: | 136.723 °C |
| PSA: | 20.31000 |
| LogP: | 2.42550 |
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Specification
The 1-Benzyl-3, 3-dimethylpiperidin-4-one, with the CAS registry number 173186-91-9, is also known as N-Benzyl-3, 3-dimethyl-4-piperidone. This chemical's molecular formula is C14H19NO and molecular weight is 217.3068. What's more, its IUPAC name is 1-Benzyl-3, 3-dimethylpiperidin-4-one.
Physical properties about 1-Benzyl-3, 3-dimethylpiperidin-4-one are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 65.244 cm3; (9)Molar Volume: 210.73 cm3; (10)Polarizability: 25.865×10-24 cm3; (11)Surface Tension: 37.781 dyne/cm; (12)Density: 1.031 g/cm3; (13)Flash Point: 136.723 °C; (14)Enthalpy of Vaporization: 55.946 kJ/mol; (15)Boiling Point: 317.995 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CCN(Cc1ccccc1)CC2(C)C
(2) InChI: InChI=1/C14H19NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
(3) InChIKey: YKQMBPQMCWGNDY-UHFFFAOYAR