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| CAS No.: | 71879-55-5 |
|---|---|
| Name: | ETHYL 3-PIPERIDIN-4-YLPROPANOATE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C10H19NO2 |
| Molecular Weight: | 185.266 |
| Synonyms: | 4-(2-ethoxycarbonylethyl)piperidine;3-(piperidin-4-yl)propionic acid ethyl ester;ethyl 4-piperidinepropanoate;Ethyl 3-(4-piperidyl)propanoate;ethyl 3-(piperidin-4-yl)propanoate;3-[4]piperidyl-propionic acid ethyl ester;ethyl 3-(piperidin-4-yl)propionate;ethyl 3-(piperid-4-yl)propionate; |
| Density: | 0.96 g/cm3 |
| Boiling Point: | 251.83 °C at 760 mmHg |
| Flash Point: | 106.103 °C |
| PSA: | 38.33000 |
| LogP: | 1.65810 |
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- Total:27 Page 1 of 1 1
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Specification
The Ethyl 3-(piperidin-4-yl)propanoate, with the CAS registry number 71879-55-5, is also known as ethyl 3-(4-piperidyl)propanoate. Its molecular formula is C10H19NO2 and its molecular weight is 185.2634. Additionally, its systematic name is ethyl 3-piperidin-4-ylpropanoate.
Other characteristics of the Ethyl 3-(piperidin-4-yl)propanoate can be summarised as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 51.407 cm3; (15)Molar Volume: 193.061 cm3; (16)Polarizability: 20.379×10-24cm3; (17)Surface Tension: 32.575 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 106.103 °C; (20)Enthalpy of Vaporization: 48.915 kJ/mol; (21)Boiling Point: 251.83 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CCC1CCNCC1
2.InChI: InChI=1/C10H19NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3
3.InChIKey: XHMFMSVBWJZLBF-UHFFFAOYAD