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Cas Database |
| Name |
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate |
EINECS | 254-482-4 |
| CAS No. | 39514-19-7 | Density | 1.154 g/cm3 |
| PSA | 46.61000 | LogP | 1.57860 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H19NO3 | Boiling Point | 368.6 °C at 760 mmHg |
| Molecular Weight | 261.321 | Flash Point | 176.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Benzyl-3-oxopiperidine-4-carboxylicacid ethyl ester;Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate;EthylN-benzyl-3-ketopiperidine-4-carboxylate;EthylN-benzyl-3-oxopiperidine-4-carboxylate;4-Piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester;1-Benzyl-3-oxo-piperidine-4-carboxylicacidethylester; |
Article Data | 13 |
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Specification
The Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate, with the cas registry number 39514-19-7 and EINECS registry number 254-482-4, is also called 1-Benzyl-3-oxo-piperidine-4-carboxylicacidethylester. And the molecular formula of the chemical is C15H19NO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.61 ?2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 71.5 cm3; (9)Molar Volume: 226.4 cm3; (10)Polarizability: 28.34×10-24cm3; (11)Surface Tension: 46 dyne/cm; (12)Density: 1.154 g/cm3; (13)Flash Point: 176.7 °C; (14)Enthalpy of Vaporization: 61.53 kJ/mol; (15)Boiling Point: 368.6 °C at 760 mmHg; (16)Vapour Pressure: 1.26E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2CN(Cc1ccccc1)CCC2C(=O)OCC
(2)InChI: InChI=1/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
(3)InChIKey: JYFGIESQUYQLGM-UHFFFAOYAY
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