-
Name
3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester
- EINECS
- CAS No. 71233-25-5
- Article Data31
- CAS DataBase
- Density 1.152 g/cm3
- Solubility
- Melting Point
- Formula C13H21NO5
- Boiling Point 364.6 °C at 760 mmHg
- Molecular Weight 271.313
- Flash Point 174.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(tert-Butoxycarbonyl)-3-Oxopiperidine-4-carboxylicacid ethyl ester;1-tert-Butyl 4-ethyl 3-oxo-1,4-piperidinedicarboxylate;
- PSA 72.91000
- LogP 1.31350
Ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate Specification
The Ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate with its cas register number is 71233-25-5. It also can be called as 1,4-Piperidinedicarboxylicacid, 3-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester and the Systematic name about this chemical is 1-tert-butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate.
Physical properties about Ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 3.81; (5)ACD/BCF (pH 7.4): 3.81; (6)ACD/KOC (pH 5.5): 90.68; (7)ACD/KOC (pH 7.4): 90.66; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 72.91Å2; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 67.15 cm3; (13)Molar Volume: 235.3 cm3; (14)Polarizability: 26.62x10-24cm3; (15)Surface Tension: 41.6 dyne/cm; (16)Enthalpy of Vaporization: 61.08 kJ/mol; (17)Vapour Pressure: 1.66E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
(3)InChIKey: WCTXJAXKORIYNA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
(5)Std. InChIKey: WCTXJAXKORIYNA-UHFFFAOYSA-N
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