CAS No.39514-19-7,1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39514-19-7
Name:	1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
Article Data:	13

Formula:	C₁₅H₁₉NO₃
Molecular Weight:	261.321
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;
EINECS:	254-482-4
Density:	1.154 g/cm³
Boiling Point:	368.6 °C at 760 mmHg
Flash Point:	176.7 °C
PSA:	46.61000
LogP:	1.57860

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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