Molecular Structure of 1-Boc-3-phenylpiperidin-4-one (CAS NO.632352-56-8):
Systematic Name: 1-Piperidinecarboxylic acid, 4-oxo-3-phenyl-, 1,1-dimethylethyl ester
Molecular Formula: C16H21NO3
Molecular Weight: 275.34
Mol File: 632352-56-8.mol
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 3
Index of Refraction: 1.531
Molar Refractivity: 76.01 cm3
Molar Volume: 245.3 cm3
Surface Tension: 42.3 dyne/cm
Density: 1.122 g/cm3
Flash Point: 196.2 °C
Enthalpy of Vaporization: 65.17 kJ/mol
Boiling Point: 400.8 °C at 760 mmHg
Vapour Pressure: 1.24E-06 mmHg at 25 °C
SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C1)c2ccccc2
InChI: InChI=1/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKey: SIZBVZFDWNCKJM-UHFFFAOYAR
1-Boc-3-phenylpiperidin-4-one (CAS NO.632352-56-8), its Synonyms are 1-Piperidinecarboxylicacid, 4-oxo-3-phenyl-, 1,1-dimethylethyl ester ; 1-tert-Butoxycarbonyl-3-phenyl-4-piperidone ; 4-Oxo-3-phenylpiperidine-1-carboxylicacid tert-butyl ester .
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