Name: 4-OXO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
SKU: 67848-59-3

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Basic Information

Molecular Structure:
CAS No.:	67848-59-3
Name:	4-OXO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data:	5

Formula:	C₈H₁₃NO₃
Molecular Weight:	171.196
Synonyms:	3-Ethoxycarbonylpiperidin-4-one;Ethyl 4-oxo-3-piperidinecarboxylate;
Density:	1.118 g/cm³
Boiling Point:	265.5 °C at 760 mmHg
Flash Point:	114.4 °C
PSA:	55.40000
LogP:	0.05690

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Specification

The 4-Oxo-3-piperidinecarboxylic acid ethyl ester with cas registry number of 67848-59-3, belongs to the following product categories: (1)PHARMACEUTICAL INTERMEDIATES; (2)pharmacetical; (3)API intermediates. It has the systematic name of ethyl 4-oxopiperidine-3-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.29; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.28; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 42.12 cm³; (15)Molar Volume: 153.1 cm³; (16)Polarizability: 16.69×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Enthalpy of Vaporization: 50.34 kJ/mol; (19)Vapour Pressure: 0.00912 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCNCC1C(=O)OCC
(2)InChI: InChI=1/C8H13NO3/c1-2-12-8(11)6-5-9-4-3-7(6)10/h6,9H,2-5H2,1H3
(3)InChIKey: RIOSMHYBRAQVHD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H13NO3/c1-2-12-8(11)6-5-9-4-3-7(6)10/h6,9H,2-5H2,1H3
(5)Std. InChIKey: RIOSMHYBRAQVHD-UHFFFAOYSA-N