CAS No.83863-72-3,N-Carbethoxy-3-methoxy-4-piperidone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83863-72-3
Name:	N-Carbethoxy-3-methoxy-4-piperidone
Article Data:	5

Formula:	C₉H₁₅NO₄
Molecular Weight:	201.222
Synonyms:	Ethyl3-methoxy-4-oxo-1-piperidinecarboxylate;
EINECS:	281-138-0
Density:	1.16 g/cm³
Boiling Point:	301.3 °C at 760 mmHg
Flash Point:	136 °C
PSA:	55.84000
LogP:	0.37060

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Specification

The N-Carbethoxy-3-methoxy-4-piperidone is an organic compound with the formula C₉H₁₅NO₄. The IUPAC name of this chemical is ethyl 3-methoxy-4-oxopiperidine-1-carboxylate. With the CAS registry number 83863-72-3, it is also named as 1-Piperidinecarboxylic acid, 3-methoxy-4-oxo-, ethyl ester.

Physical properties about N-Carbethoxy-3-methoxy-4-piperidone are: (1)ACD/LogP: -0.57; (2)ACD/LogD (pH 5.5): -0.57; (3)ACD/LogD (pH 7.4): -0.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.69; (7)ACD/KOC (pH 7.4): 11.69; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.84 Å²; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 49.24 cm³; (13)Molar Volume: 172.8 cm³; (14)Polarizability: 19.52×10^-24cm³; (15)Surface Tension: 40.5 dyne/cm; (16)Density: 1.16 g/cm³; (17)Flash Point: 136 °C; (18)Enthalpy of Vaporization: 54.14 kJ/mol; (19)Boiling Point: 301.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N1CCC(=O)C(OC)C1
(2)InChI: InChI=1/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3
(3)InChIKey: WDPDIPXYVCLBCI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3
(5)Std. InChIKey: WDPDIPXYVCLBCI-UHFFFAOYSA-N