ChemSpider 2D Image | 5,6,12,13-Tetrachloro-2-(2-hydroxyethyl)-9-pentylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone | C31H20Cl4N2O5

5,6,12,13-Tetrachloro-2-(2-hydroxyethyl)-9-pentylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

  • Molecular FormulaC31H20Cl4N2O5
  • Average mass642.313 Da
  • Monoisotopic mass640.012634 Da
  • ChemSpider ID21154868

More details:

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

5,6,12,13-Tetrachlor-2-(2-hydroxyethyl)-9-pentylisochinolino[4',5',6':6,5,10]anthra[2,1,9-def]isochinolin-1,3,8,10(2H,9H)-tetron [German] [ACD/IUPAC Name]
5,6,12,13-Tétrachloro-2-(2-hydroxyéthyl)-9-pentylisoquinoléino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoléine-1,3,8,10(2H,9H)-tétrone [French] [ACD/IUPAC Name]
5,6,12,13-Tetrachloro-2-(2-hydroxyethyl)-9-pentylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone [ACD/IUPAC Name]
Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, 5,6,12,13-tetrachloro-2-(2-hydroxyethyl)-9-pentyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 855.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.1±34.3 °C
Index of Refraction: 1.794
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35118.97
ACD/KOC (pH 5.5): 62414.05
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35118.97
ACD/KOC (pH 7.4): 62414.05
Polar Surface Area: 95 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 392.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement