2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester supplier

Name
2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester
EINECS
CAS No. 201991-24-4
Article Data4
CAS DataBase
Density 1.053 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₃
Boiling Point 312.365 °C at 760 mmHg
Molecular Weight 227.304
Flash Point 142.714 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester;tert-butyl 2-acetylpiperidine-1-carboxylate;
PSA 46.61000
LogP 2.30290

2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester 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

Product Name

2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester

2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester Specification

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