ChemSpider 2D Image | Methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate | C32H38N2O3

Methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate

  • Molecular FormulaC32H38N2O3
  • Average mass498.656 Da
  • Monoisotopic mass498.288239 Da
  • ChemSpider ID22377155

More details:






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

3-{3-[(Cyclohexylcarbonyl){[4'-(diméthylamino)-4-biphénylyl]méthyl}amino]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-[(cyclohexylcarbonyl)[[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]methyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)-4-biphenylyl]methyl}amino]phenyl}propanoate [ACD/IUPAC Name]
Methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate
Methyl-3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)-4-biphenylyl]methyl}amino]phenyl}propanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.1±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 22489.64
ACD/KOC (pH 5.5): 42750.14
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27636.44
ACD/KOC (pH 7.4): 52533.59
Polar Surface Area: 50 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 436.9±3.0 cm3

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