ChemSpider 2D Image | Ethyl 1-[3-cyano-3,3-diphenyl(~2~H_4_)propyl]-4-phenyl-4-piperidinecarboxylate | C30H28D4N2O2

Ethyl 1-[3-cyano-3,3-diphenyl(2H4)propyl]-4-phenyl-4-piperidinecarboxylate

  • Molecular FormulaC30H28D4N2O2
  • Average mass456.612 Da
  • Monoisotopic mass456.271484 Da
  • ChemSpider ID31046244

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[3-Cyano-3,3-diphényl(2H4)propyl]-4-phényl-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl-1,1,2,2-d4)-4-phenyl-, ethyl ester [ACD/Index Name]
Ethyl 1-[3-cyano-3,3-diphenyl(2H4)propyl]-4-phenyl-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[3-cyan-3,3-diphenyl(2H4)propyl]-4-phenyl-4-piperidincarboxylat [German] [ACD/IUPAC Name]
61157-91-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 223.50
ACD/KOC (pH 5.5): 525.27
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 7456.12
ACD/KOC (pH 7.4): 17523.42
Polar Surface Area: 53 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 402.9±3.0 cm3

Click to predict properties on the Chemicalize site


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