ChemSpider 2D Image | 3-(4-Hydroxy-3-{[(2E,4E)-7-methyl-2,4-octadienoyl]amino}phenyl)propanoic acid | C18H23NO4

3-(4-Hydroxy-3-{[(2E,4E)-7-methyl-2,4-octadienoyl]amino}phenyl)propanoic acid

  • Molecular FormulaC18H23NO4
  • Average mass317.379 Da
  • Monoisotopic mass317.162720 Da
  • ChemSpider ID32674929

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Hydroxy-3-{[(2E,4E)-7-methyl-2,4-octadienoyl]amino}phenyl)propanoic acid [ACD/IUPAC Name]
3-(4-Hydroxy-3-{[(2E,4E)-7-methyl-2,4-octadienoyl]amino}phenyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-hydroxy-3-{[(2E,4E)-7-méthyl-2,4-octadienoyl]amino}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-hydroxy-3-[[(2E,4E)-7-methyl-1-oxo-2,4-octadien-1-yl]amino]- [ACD/Index Name]
carpatamide C
E'Carpatamide C'

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.1±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 9.49
ACD/KOC (pH 5.5): 99.99
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 87 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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