ChemSpider 2D Image | 2,2'-[1,2-Ethanediylbis(imino-3,1-propanediyl)]bis(5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione) | C32H28N6O8

2,2'-[1,2-Ethanediylbis(imino-3,1-propanediyl)]bis(5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione)

  • Molecular FormulaC32H28N6O8
  • Average mass624.600 Da
  • Monoisotopic mass624.196838 Da
  • ChemSpider ID315243

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis[5-nitro- [ACD/Index Name]
2,2'-[1,2-Ethandiylbis(imino-3,1-propandiyl)]bis(5-nitro-1H-benzo[de]isochinolin-1,3(2H)-dion) [German] [ACD/IUPAC Name]
2,2'-[1,2-Éthanediylbis(imino-3,1-propanediyl)]bis(5-nitro-1H-benzo[de]isoquinoléine-1,3(2H)-dione) [French] [ACD/IUPAC Name]
2,2'-[1,2-Ethanediylbis(imino-3,1-propanediyl)]bis(5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione) [ACD/IUPAC Name]
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1, 2-ethanediylbis(imino-3,1-propanediyl)]bis[5-nitro-
2,2'-[ethane-1,2-diylbis(iminopropane-3,1-diyl)]bis(5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445737/
N,N'-bis[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-benz[de]-isoquinolin-2-yl)]propane-2-ethanediamine

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

NSC608232 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 860.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 474.0±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 166.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.07
Polar Surface Area: 190 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 427.3±3.0 cm3

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