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