ChemSpider 2D Image | 7-Chloro-2-[2-(diethylamino)ethyl]-1-[4-(hexyloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C29H35ClN2O4

7-Chloro-2-[2-(diethylamino)ethyl]-1-[4-(hexyloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID3892943

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 7-chloro-2-[2-(diethylamino)ethyl]-1-[4-(hexyloxy)phenyl]-1,2-dihydro- [ACD/Index Name]
7-Chlor-2-[2-(diethylamino)ethyl]-1-[4-(hexyloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
7-Chloro-2-[2-(diethylamino)ethyl]-1-[4-(hexyloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
7-Chloro-2-[2-(diéthylamino)éthyl]-1-[4-(hexyloxy)phényl]-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 27.22
ACD/KOC (pH 5.5): 49.46
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 137.77
ACD/KOC (pH 7.4): 250.32
Polar Surface Area: 59 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 411.0±5.0 cm3

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