ChemSpider 2D Image | Ethyl {2-methyl-4-[(9E)-9-octadecenoylamino]phenyl}acetate | C29H47NO3

Ethyl {2-methyl-4-[(9E)-9-octadecenoylamino]phenyl}acetate

  • Molecular FormulaC29H47NO3
  • Average mass457.688 Da
  • Monoisotopic mass457.355591 Da
  • ChemSpider ID23137764
  • Double-bond stereo - Double-bond stereo


More details:






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

{2-Méthyl-4-[(9E)-9-octadecenoylamino]phényl}acétate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-methyl-4-[[(9E)-1-oxo-9-octadecen-1-yl]amino]-, ethyl ester [ACD/Index Name]
Ethyl {2-methyl-4-[(9E)-9-octadecenoylamino]phenyl}acetate [ACD/IUPAC Name]
Ethyl-{2-methyl-4-[(9E)-9-octadecenoylamino]phenyl}acetat [German] [ACD/IUPAC Name]
(2-Methyl-4-octadec-9-enoylamino-phenyl)-acetic acid ethyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 589.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 9.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2624697.75
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2624729.50
Polar Surface Area: 55 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 465.8±3.0 cm3

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