ChemSpider 2D Image | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE | C44H54N8O2

BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE

  • Molecular FormulaC44H54N8O2
  • Average mass726.952 Da
  • Monoisotopic mass726.436951 Da
  • ChemSpider ID2706938

More details:

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

4-Acridinecarboxamide, 9,9'-(1,8-octanediyldiimino)bis[N-[2-(dimethylamino)ethyl]- [ACD/Index Name]
9,9'-(1,8-Octandiyldiimino)bis{N-[2-(dimethylamino)ethyl]-4-acridincarboxamid} [German] [ACD/IUPAC Name]
9,9'-(1,8-Octanediyldiimino)bis{N-[2-(dimethylamino)ethyl]-4-acridinecarboxamide} [ACD/IUPAC Name]
9,9'-(1,8-Octanediyldiimino)bis{N-[2-(diméthylamino)éthyl]-4-acridinecarboxamide} [French] [ACD/IUPAC Name]
9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}
BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE
4N-(2-dimethylaminoethyl)-9-{8-[4-(2-dimethylaminoethylcarbamoyl)-9-acridinylamino]octylamino}-4-acridinecarboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL345599/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 983.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 548.5±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 227.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 19.71
ACD/KOC (pH 7.4): 51.49
Polar Surface Area: 115 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 605.4±3.0 cm3

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