ChemSpider 2D Image | 3-(Dicyclohexylamino)-1-(4-hexylphenyl)-1-propanone | C27H43NO

3-(Dicyclohexylamino)-1-(4-hexylphenyl)-1-propanone

  • Molecular FormulaC27H43NO
  • Average mass397.636 Da
  • Monoisotopic mass397.334473 Da
  • ChemSpider ID23299190

More details:






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

1-Propanone, 3-(dicyclohexylamino)-1-(4-hexylphenyl)- [ACD/Index Name]
3-(Dicyclohexylamino)-1-(4-hexylphenyl)-1-propanon [German] [ACD/IUPAC Name]
3-(Dicyclohexylamino)-1-(4-hexylphenyl)-1-propanone [ACD/IUPAC Name]
3-(Dicyclohexylamino)-1-(4-hexylphényl)-1-propanone [French] [ACD/IUPAC Name]
3-(dicyclohexylamino)-1-(4-hexylphenyl)propan-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL428375/
β-Aminophenylketone, 3j

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

Density: 1.0±0.1 g/cm3
Boiling Point: 533.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 188.1±17.5 °C
Index of Refraction: 1.533
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 508.53
ACD/KOC (pH 5.5): 400.70
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 2115.93
ACD/KOC (pH 7.4): 1667.28
Polar Surface Area: 20 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 399.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement