ChemSpider 2D Image | Methyl (2E)-3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)(2,3,5,6-~2~H_4_)-4-biphenylyl]methyl}amino]phenyl}acrylate | C32H32D4N2O3

Methyl (2E)-3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)(2,3,5,6-2H4)-4-biphenylyl]methyl}amino]phenyl}acrylate

  • Molecular FormulaC32H32D4N2O3
  • Average mass500.664 Da
  • Monoisotopic mass500.297699 Da
  • ChemSpider ID58794417

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-{3-[(Cyclohexylcarbonyl){[4'-(diméthylamino)(2,3,5,6-2H4)-4-biphénylyl]méthyl}amino]phényl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-[(cyclohexylcarbonyl)[[4'-(dimethylamino)[1,1'-biphenyl]-4-yl-2,3,5,6-d4]methyl]amino]phenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)(2,3,5,6-2H4)-4-biphenylyl]methyl}amino]phenyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)(2,3,5,6-2H4)-4-biphenylyl]methyl}amino]phenyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 12755.15
ACD/KOC (pH 5.5): 28505.29
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15638.58
ACD/KOC (pH 7.4): 34949.18
Polar Surface Area: 50 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 428.5±3.0 cm3

Click to predict properties on the Chemicalize site


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