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| CAS No.: | 2739-99-3 |
|---|---|
| Name: | Ethyl 2-piperidineacetate |
| Molecular Structure: | |
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| Formula: | C9H17NO2 |
| Molecular Weight: | 171.239 |
| Synonyms: | ethyl piperidin-2-ylacetate;2-Piperidineacetic acid, ethyl ester; |
| Density: | 0.969 g/cm3 |
| Melting Point: | 125 °C |
| Boiling Point: | 232.8 °C at 760 mmHg |
| Flash Point: | 94.6 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 38.33000 |
| LogP: | 1.41050 |
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Specification
The Ethyl 2-piperidineacetate, with the CAS registry number 2739-99-3, is also known as 2-Piperidineacetic acid, ethyl ester. This chemical's molecular formula is C9H17NO2 and molecular weight is 171.24. What's more, its systematic name is ethyl piperidin-2-ylacetate.
Physical properties of Ethyl 2-piperidineacetate are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.442; (8)Molar Refractivity: 46.77 cm3; (9)Molar Volume: 176.5 cm3; (10)Polarizability: 18.54×10-24 cm3; (11)Surface Tension: 32.4 dyne/cm; (12)Density: 0.969 g/cm3; (13)Flash Point: 94.6 °C; (14)Enthalpy of Vaporization: 46.95 kJ/mol; (15)Boiling Point: 232.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0577 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)CC1NCCCC1
(2)InChI: InChI=1/C9H17NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h8,10H,2-7H2,1H3
(3)InChIKey: SEJLPOWVAACXJQ-UHFFFAOYAB