ChemSpider 2D Image | Methyl 1,3-dioxo-2-(7-tridecanyl)-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isoquinoline-8-carboxylate | C37H39NO4

Methyl 1,3-dioxo-2-(7-tridecanyl)-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isoquinoline-8-carboxylate

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID8920802

More details:

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

1,3-Dioxo-2-(7-tridécanyl)-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isoquinoléine-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Benz[5,10]anthra[2,1,9-def]isoquinoline-8-carboxylic acid, 2-(1-hexylheptyl)-2,3-dihydro-1,3-dioxo-, methyl ester [ACD/Index Name]
Methyl 1,3-dioxo-2-(7-tridecanyl)-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isoquinoline-8-carboxylate [ACD/IUPAC Name]
Methyl-1,3-dioxo-2-(7-tridecanyl)-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isochinolin-8-carboxylat [German] [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: 714.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±25.4 °C
Index of Refraction: 1.671
Molar Refractivity: 173.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.31
ACD/LogD (pH 5.5): 10.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 64 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 464.3±3.0 cm3

Click to predict properties on the Chemicalize site


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