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CAS No.: | 324769-07-5 |
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Name: | 1-BOC-2-ETHYL-PIPERIDIN-4-ONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H21NO3 |
Molecular Weight: | 227.304 |
Synonyms: | 1-(tert-Butoxycarbonyl)-2-ethyl-4-oxopiperidine; |
Density: | 1.039 g/cm3 |
Boiling Point: | 315.397 °C at 760 mmHg |
Flash Point: | 144.547 °C |
PSA: | 46.61000 |
LogP: | 2.30290 |
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The 1-Piperidinecarboxylicacid, 2-ethyl-4-oxo-, 1,1-dimethylethyl ester, with the CAS registry number 324769-07-5, is also known as 2-Ethyl-4-oxopiperidine, N-BOC protected 97%. It belongs to the product categories of Pyrans, Piperidines & Piperazines; Pyrans, Piperidines & Piperazines. This chemical's molecular formula is C12H21NO3 and molecular weight is 227.3. Its systematic name is called tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate.
Physical properties of 1-Piperidinecarboxylicacid, 2-ethyl-4-oxo-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 139; (7)ACD/KOC (pH 7.4): 139; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.469; (11)Molar Refractivity: 60.897 cm3; (12)Molar Volume: 218.767 cm3; (13)Surface Tension: 35.066 dyne/cm; (14)Density: 1.039 g/cm3; (15)Flash Point: 144.547 °C; (16)Enthalpy of Vaporization: 55.664 kJ/mol; (17)Boiling Point: 315.397 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1CC
(2)InChI: InChI=1/C12H21NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
(3)InChIKey: GJZHXLNQQNAXNW-UHFFFAOYAM