ChemSpider 2D Image | Benzyl 3-cyano-4-oxo-1-piperidinecarboxylate | C14H14N2O3

Benzyl 3-cyano-4-oxo-1-piperidinecarboxylate

  • Molecular FormulaC14H14N2O3
  • Average mass258.273 Da
  • Monoisotopic mass258.100433 Da
  • ChemSpider ID21885518

More details:

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

1-Piperidinecarboxylic acid, 3-cyano-4-oxo-, phenylmethyl ester [ACD/Index Name]
3-Cyano-4-oxo-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
916423-53-5 [RN]
Benzyl 3-cyano-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl 3-cyano-4-oxopiperidine-1-carboxylate
Benzyl-3-cyan-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]
[916423-53-5] [RN]
95%
Benzyl 3-cyano-4-oxopiperidin-1-carboxylate
Benzyl 3-cyano-4-oxo-piperidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 468.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.3±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
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: 26.8±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 203.8±5.0 cm3

Click to predict properties on the Chemicalize site


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