ChemSpider 2D Image | 4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl 3,4,5-triethoxybenzoate | C31H43NO6

4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl 3,4,5-triethoxybenzoate

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID66922981

More details:

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

3,4,5-Triéthoxybenzoate de 4-({[(4-butylcyclohexyl)carbonyl]amino}méthyl)phényle [French] [ACD/IUPAC Name]
4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl 3,4,5-triethoxybenzoate [ACD/IUPAC Name]
4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl-3,4,5-triethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-triethoxy-, 4-[[[(4-butylcyclohexyl)carbonyl]amino]methyl]phenyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 661.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±25.9 °C
Index of Refraction: 1.530
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89337.66
ACD/KOC (pH 5.5): 121767.05
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89337.75
ACD/KOC (pH 7.4): 121767.19
Polar Surface Area: 83 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 482.8±3.0 cm3

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