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| CAS No.: | 201991-24-4 |
|---|---|
| Name: | 2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H21NO3 |
| Molecular Weight: | 227.304 |
| Synonyms: | 2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester;tert-butyl 2-acetylpiperidine-1-carboxylate; |
| Density: | 1.053 g/cm3 |
| Boiling Point: | 312.365 °C at 760 mmHg |
| Flash Point: | 142.714 °C |
| PSA: | 46.61000 |
| LogP: | 2.30290 |
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Specification
The 2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester with the CAS number 201991-24-4 is also called 1-Piperidinecarboxylicacid, 2-acetyl-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 2-acetylpiperidine-1-carboxylate. Its molecular formula is C12H21NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.474; (8)Molar Refractivity: 60.645 cm3; (9)Molar Volume: 215.948 cm3; (10)Polarizability: 24.042×10-24cm3; (11)Surface Tension: 36.934 dyne/cm; (12)Enthalpy of Vaporization: 55.336 kJ/mol; (13)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C(C(=O)C)CCCC1
(2)InChI: InChI=1/C12H21NO3/c1-9(14)10-7-5-6-8-13(10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
(3)InChIKey: CKHYGWMWQKVMQE-UHFFFAOYAH