ChemSpider 2D Image | (2S,2'S)-N,N'-1,6-Hexanediylbis[2-(9-acridinylamino)-3-methylbutanamide] | C42H48N6O2

(2S,2'S)-N,N'-1,6-Hexanediylbis[2-(9-acridinylamino)-3-methylbutanamide]

  • Molecular FormulaC42H48N6O2
  • Average mass668.870 Da
  • Monoisotopic mass668.383850 Da
  • ChemSpider ID8732347

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-N,N'-1,6-Hexandiylbis[2-(9-acridinylamino)-3-methylbutanamid] [German] [ACD/IUPAC Name]
(2S,2'S)-N,N'-1,6-Hexanediylbis[2-(9-acridinylamino)-3-methylbutanamide] [ACD/IUPAC Name]
(2S,2'S)-N,N'-1,6-Hexanediylbis[2-(9-acridinylamino)-3-méthylbutanamide] [French] [ACD/IUPAC Name]
Butanamide, N,N'-1,6-hexanediylbis[2-(9-acridinylamino)-3-methyl-, (2S,2'S)- [ACD/Index 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: 946.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 526.0±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 209.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 29.95
ACD/KOC (pH 5.5): 40.52
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 1038.93
ACD/KOC (pH 7.4): 1405.35
Polar Surface Area: 108 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 556.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement