ChemSpider 2D Image | 3-[(Dioctylamino)methyl]-1,2-dihydroxy-9,10-anthraquinone | C31H43NO4

3-[(Dioctylamino)methyl]-1,2-dihydroxy-9,10-anthraquinone

  • Molecular FormulaC31H43NO4
  • Average mass493.677 Da
  • Monoisotopic mass493.319214 Da
  • ChemSpider ID28673085

More details:

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

3-[(Dioctylamino)methyl]-1,2-dihydroxy-9,10-anthrachinon [German] [ACD/IUPAC Name]
3-[(Dioctylamino)methyl]-1,2-dihydroxy-9,10-anthraquinone [ACD/IUPAC Name]
3-[(Dioctylamino)méthyl]-1,2-dihydroxy-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[(dioctylamino)methyl]-1,2-dihydroxy- [ACD/Index Name]
112812-33-6 [RN]
3-[(DIOCTYLAMINO)METHYL]-1,2-DIHYDROXYANTHRACENE-9,10-DIONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 11.30
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 64137.53
ACD/KOC (pH 5.5): 19124.81
ACD/LogD (pH 7.4): 8.01
ACD/BCF (pH 7.4): 255635.34
ACD/KOC (pH 7.4): 76226.48
Polar Surface Area: 78 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 443.6±3.0 cm3

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