ChemSpider 2D Image | 1,4,5,8-Tetraamino-2,7-bis(3-octylphenoxy)-9,10-anthraquinone | C42H52N4O4

1,4,5,8-Tetraamino-2,7-bis(3-octylphenoxy)-9,10-anthraquinone

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398865 Da
  • ChemSpider ID28692052

More details:

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

1,4,5,8-Tetraamino-2,7-bis(3-octylphenoxy)-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,4,5,8-Tetraamino-2,7-bis(3-octylphenoxy)-9,10-anthraquinone [ACD/IUPAC Name]
1,4,5,8-Tétraamino-2,7-bis(3-octylphénoxy)-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-octylphenoxy)- [ACD/Index Name]
1,4,5,8-TETRAAMINO-2,7-BIS(3-OCTYLPHENOXY)ANTHRACENE-9,10-DIONE
88623-53-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 843.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 167.2±30.6 °C
Index of Refraction: 1.627
Molar Refractivity: 203.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 13.40
ACD/LogD (pH 5.5): 11.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 157 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 573.1±3.0 cm3

Click to predict properties on the Chemicalize site


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