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| Name |
1-Boc-2-phenyl-4-piperidinone |
EINECS | 200-589-5 |
| CAS No. | 849928-30-9 | Density | 1.122 g/cm3 |
| PSA | 46.61000 | LogP | 3.26560 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H21NO3 | Boiling Point | 400.821 °C at 760 mmHg |
| Molecular Weight | 275.348 | Flash Point | 196.21 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(tert-Butoxycarbonyl)-2-phenylpiperidin-4-one;tert-Butyl 2-phenyl-4-oxopiperidine-1-carboxylate;1-Boc-2-phenyl-4-piperidinone; |
1-Boc-2-phenyl-4-piperidinone Specification
The systematic name of 1-Piperidinecarboxylicacid, 4-oxo-2-phenyl-, 1,1-dimethylethyl ester is tert-butyl 4-oxo-2-phenyl-piperidine-1-carboxylate. With the CAS registry number 849928-30-9, it is also named as 1-Boc-2-phenyl-4-piperidinone. The product's categories are Piperidine; Piperidines. In addition, its molecular formula is C16H21NO3 and its molecular weight is 275.34. When you are using this chemical, please avoid contact with skin and eyes.
The other characteristics of 1-Piperidinecarboxylicacid, 4-oxo-2-phenyl-, 1,1-dimethylethyl ester can be summarized as: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.805; (4)ACD/LogD (pH 7.4): 2.805; (5)ACD/BCF (pH 5.5): 79.828; (6)ACD/BCF (pH 7.4): 79.828; (7)ACD/KOC (pH 5.5): 800.156; (8)ACD/KOC (pH 7.4): 800.156; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 76.015 cm3; (15)Molar Volume: 245.379 cm3; (16)Polarizability: 30.135×10-24cm3; (17)Surface Tension: 42.376 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 196.21 °C; (20)Enthalpy of Vaporization: 65.174 kJ/mol; (21)Boiling Point: 400.821 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1c2ccccc2
(2)InChI: InChI=1/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-13(18)11-14(17)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
(3)InChIKey: UMUHNUZMXNXCMV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-13(18)11-14(17)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
(5)Std. InChIKey: UMUHNUZMXNXCMV-UHFFFAOYSA-N
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