1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester supplier

Name
3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 914988-10-6
Article Data6
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 97-99 °C
Formula C₁₁H₁₆N₂O₃
Boiling Point 375.1 °C at 760 mmHg
Molecular Weight 224.2563
Flash Point 180.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 3-cyano-4-oxo-1-piperidinecarboxylate;3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester;
PSA 70.40000
LogP 1.27398

1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester Specification

The 1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester, with CAS registry number 914988-10-6, has the systematic name of tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate. And the chemical formula of this chemical is C₁₁H₁₆N₂O₃.

Physical properties of 1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 70.4 Å²; (6)Index of Refraction: 1.497; (7)Molar Refractivity: 56.71 cm³; (8)Molar Volume: 193.5 cm³; (9)Polarizability: 22.48×10^-24cm³; (10)Surface Tension: 45.1 dyne/cm; (11)Enthalpy of Vaporization: 62.25 kJ/mol; (12)Vapour Pressure: 7.99E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C1)C#N
(2)InChI: InChI=1/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3
(3)InChIKey: VPFTZTMJPFIRAN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3
(5)Std. InChIKey: VPFTZTMJPFIRAN-UHFFFAOYSA-N

Product Name

3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester Specification

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