ChemSpider 2D Image | 9,9'-(1,6-Hexanediyldiimino)bis{N-[2-(dimethylamino)ethyl]-4-acridinecarboxamide} | C42H50N8O2

9,9'-(1,6-Hexanediyldiimino)bis{N-[2-(dimethylamino)ethyl]-4-acridinecarboxamide}

  • Molecular FormulaC42H50N8O2
  • Average mass698.899 Da
  • Monoisotopic mass698.405701 Da
  • ChemSpider ID9540940

More details:

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

4-Acridinecarboxamide, 9,9'-(1,6-hexanediyldiimino)bis[N-[2-(dimethylamino)ethyl]- [ACD/Index Name]
9,9'-(1,6-Hexandiyldiimino)bis{N-[2-(dimethylamino)ethyl]-4-acridincarboxamid} [German] [ACD/IUPAC Name]
9,9'-(1,6-Hexanediyldiimino)bis{N-[2-(dimethylamino)ethyl]-4-acridinecarboxamide} [ACD/IUPAC Name]
9,9'-(1,6-Hexanediyldiimino)bis{N-[2-(diméthylamino)éthyl]-4-acridinecarboxamide} [French] [ACD/IUPAC Name]
9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE}
A4C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL345716/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 975.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 543.5±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 218.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.34
ACD/KOC (pH 7.4): 22.96
Polar Surface Area: 115 Å2
Polarizability: 86.5±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 572.4±3.0 cm3

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