ChemSpider 2D Image | tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate | C11H16N2O3

tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate

  • Molecular FormulaC11H16N2O3
  • Average mass224.256 Da
  • Monoisotopic mass224.116089 Da
  • ChemSpider ID23346610

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-cyano-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-cyan-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-Cyano-4-oxo-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate
3-cyano-4-oxo-1-piperidinecarboxylic acid tert-butyl ester
3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-bu

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-04024]
    • Safety:

      20/21/22 Novochemy [NC-04024]
      20/21/36/37/39 Novochemy [NC-04024]
      GHS07; GHS09 Novochemy [NC-04024]
      H332; H403 Novochemy [NC-04024]
      IRRITANT Matrix Scientific 072632
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-04024]
      R52/53 Novochemy [NC-04024]
      Warning Novochemy [NC-04024]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 375.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.6±27.9 °C
Index of Refraction: 1.498
Molar Refractivity: 56.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 70 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 193.5±5.0 cm3

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