ChemSpider 2D Image | 3-Acetyl-5,12-bis[(2-hydroxyethyl)amino]-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-6,11-dione | C34H34N2O9

3-Acetyl-5,12-bis[(2-hydroxyethyl)amino]-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-6,11-dione

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID8457967

More details:

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

1H-Cyclohepta[ghi]perylene-6,11-dione, 3-acetyl-5,12-bis[(2-hydroxyethyl)amino]-4,8,9,13-tetramethoxy-2-methyl- [ACD/Index Name]
3-Acetyl-5,12-bis[(2-hydroxyethyl)amino]-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylen-6,11-dion [German] [ACD/IUPAC Name]
3-Acetyl-5,12-bis[(2-hydroxyethyl)amino]-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-6,11-dione [ACD/IUPAC Name]
3-Acétyl-5,12-bis[(2-hydroxyéthyl)amino]-4,8,9,13-tétraméthoxy-2-méthyl-1H-cyclohepta[ghi]pérylène-6,11-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1010.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.6±3.0 kJ/mol
Flash Point: 565.1±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.74
ACD/KOC (pH 5.5): 3784.47
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 699.76
ACD/KOC (pH 7.4): 3784.58
Polar Surface Area: 153 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

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