| Identification | |
| Name: | 1,3-Piperidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester |
| Synonyms: | 1-tert-Butoxycarbonyl-3-(ethoxycarbonyl)piperidin-4-one;1-tert-Butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate;4-Oxopiperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester;EthylN-tert-butoxycarbonyl-4-oxo-3-piperidinecarboxylate; |
| CAS: | 98977-34-5 |
| Molecular Formula: | C13H21NO5 |
| Molecular Weight: | 271.31 |
| InChI: | InChI=1/C13H21NO5/c1-5-18-11(16)9-8-14(7-6-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.152g/cm3 |
| Refractive index: | 1.482 |
| Specification: |
The N-Boc-3-carboethoxy-4-piperidone, with the cas registry number 98977-34-5, has the systematic name of 1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate. Its product belongs to categoties of Pharmacetical and API intermediates. And the molecular formula of the chemical is C13H21NO5. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 72.91 Å2; (7)Index of Refraction: 1.482; (8)Molar Refractivity: 67.15 cm3; (9)Molar Volume: 235.3 cm3; (10)Polarizability: 26.62×10-24cm3; (11)Surface Tension: 41.6 dyne/cm; (12)Density: 1.152 g/cm3; (13)Flash Point: 174.3 °C; (14)Enthalpy of Vaporization: 61.08 kJ/mol; (15)Boiling Point: 364.6 °C at 760 mmHg; (16)Vapour Pressure: 1.66E-05 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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