ChemSpider 2D Image | (1E,6E)-4-(4-Aminophenyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione | C27H25NO6

(1E,6E)-4-(4-Aminophenyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

  • Molecular FormulaC27H25NO6
  • Average mass459.491 Da
  • Monoisotopic mass459.168182 Da
  • ChemSpider ID25936427

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,6E)-4-(4-Aminophenyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
(1E,6E)-4-(4-Aminophenyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1E,6E)-4-(4-Aminophényl)-1,7-bis(4-hydroxy-3-méthoxyphényl)-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
(1E,6E)-4-(4-Aminophenyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
1,6-Heptadiene-3,5-dione, 4-(4-aminophenyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 168.92
ACD/KOC (pH 5.5): 1290.37
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 190.00
ACD/KOC (pH 7.4): 1451.45
Polar Surface Area: 119 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 351.6±3.0 cm3

Click to predict properties on the Chemicalize site


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