-
Name
4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER
- EINECS
- CAS No. 416852-82-9
- Article Data11
- CAS DataBase
- Density 1.13 g/cm3
- Solubility
- Melting Point
- Formula C13H22FNO4
- Boiling Point 319 °C at 760 mmHg
- Molecular Weight 275.32
- Flash Point 146.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Fluoro-1-(1,1-dimethylethyl)1,4-piperidinedicarboxylic acid-4-ethyl ester;
- PSA 55.84000
- LogP 2.22660
1,4-Piperidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 4-ethyl ester Specification
The 1,4-Piperidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 4-ethyl ester, with the CAS registry number 416852-82-9, is also known as 4-Fluoro-1-(1,1-dimethylethyl)1,4-piperidinedicarboxylic acid-4-ethyl ester. This chemical's molecular formula is C13H22FNO4 and molecular weight is 275.3165. Its systematic name is called 1-tert-butyl 4-ethyl 4-fluoropiperidine-1,4-dicarboxylate.
Physical properties of 1,4-Piperidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 4-ethyl ester: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.35; (5)ACD/BCF (pH 7.4): 25.35; (6)ACD/KOC (pH 5.5): 352.08; (7)ACD/KOC (pH 7.4): 352.08; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.469; (11)Molar Refractivity: 67.92 cm3; (12)Molar Volume: 243.4 cm3; (13)Surface Tension: 36.9 dyne/cm; (14)Density: 1.13 g/cm3; (15)Flash Point: 146.7 °C; (16)Enthalpy of Vaporization: 56.05 kJ/mol; (17)Boiling Point: 319 °C at 760 mmHg; (18)Vapour Pressure: 0.000349 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1(F)CCN(CC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H22FNO4/c1-5-18-10(16)13(14)6-8-15(9-7-13)11(17)19-12(2,3)4/h5-9H2,1-4H3
(3)InChIKey: ABBIQGVRIOLJNV-UHFFFAOYAV
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