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| CAS No.: | 340962-71-2 |
|---|---|
| Name: | [1,4']Bipiperidinyl-3-carboxylic acid ethyl ester |
| Molecular Structure: | |
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| Formula: | C13H24N2O2 |
| Molecular Weight: | 240.34 |
| Synonyms: | 4-[3-(Ethoxycarbonyl)piperidino]piperidine;[1,4'-Bipiperidine]-3-carboxylic acid, ethyl ester; |
| Density: | 1.055 g/cm3 |
| Boiling Point: | 327.4 °C at 760 mmHg |
| Flash Point: | 151.8 °C |
| PSA: | 41.57000 |
| LogP: | 1.28020 |
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Specification
The [1,4']Bipiperidinyl-3-carboxylic acid ethyl ester with the cas number 340962-71-2 is also called [1,4'-Bipiperidine]-3-carboxylic acid, ethyl ester. The systematic name is ethyl 1,4'-bipiperidine-3-carboxylate. Its molecular formula is C13H24N2O2.
The properties of the chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -1.68 ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 66.65 cm3; (15)Molar Volume: 227.7 cm3; (16)Polarizability: 26.42×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 56.97 kJ/mol ; (19)Vapour Pressure: 0.000203 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2CN(C1CCNCC1)CCC2
(2)InChI: InChI=1/C13H24N2O2/c1-2-17-13(16)11-4-3-9-15(10-11)12-5-7-14-8-6-12/h11-12,14H,2-10H2,1H3
(3)InChIKey: NCCMYMPJFQWVCO-UHFFFAOYAU