ChemSpider 2D Image | 2-({2-[(6-Chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl}amino)-5-hydroxy-1,4-naphthoquinone | C25H22ClN3O3

2-({2-[(6-Chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl}amino)-5-hydroxy-1,4-naphthoquinone

  • Molecular FormulaC25H22ClN3O3
  • Average mass447.914 Da
  • Monoisotopic mass447.134979 Da
  • ChemSpider ID35034417

More details:

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

1,4-Naphthalenedione, 2-[[2-[(6-chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]amino]-5-hydroxy- [ACD/Index Name]
2-({2-[(6-Chlor-1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl}amino)-5-hydroxy-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-({2-[(6-Chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl}amino)-5-hydroxy-1,4-naphthoquinone [ACD/IUPAC Name]
2-({2-[(6-Chloro-1,2,3,4-tétrahydro-9-acridinyl)amino]éthyl}amino)-5-hydroxy-1,4-naphtoquinone [French] [ACD/IUPAC Name]
2-({2-[(6-Chloro-1,2,3,4-Tetrahydroacridin-9-Yl)amino]ethyl}amino)-5-Hydroxynaphthalene-1,4-Dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3356536/
TJH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 397.1±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 158.17
ACD/KOC (pH 5.5): 419.74
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 805.52
ACD/KOC (pH 7.4): 2137.61
Polar Surface Area: 91 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 310.2±5.0 cm3

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