ChemSpider 2D Image | (1S,2S)-N,N'-Bis[7-(trifluoromethyl)-4-quinolinyl]-1,2-cyclohexanediamine | C26H22F6N4

(1S,2S)-N,N'-Bis[7-(trifluoromethyl)-4-quinolinyl]-1,2-cyclohexanediamine

  • Molecular FormulaC26H22F6N4
  • Average mass504.470 Da
  • Monoisotopic mass504.174866 Da
  • ChemSpider ID8800681

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-N,N'-Bis[7-(trifluormethyl)-4-chinolinyl]-1,2-cyclohexandiamin [German] [ACD/IUPAC Name]
(1S,2S)-N,N'-Bis[7-(trifluorométhyl)-4-quinoléinyl]-1,2-cyclohexanediamine [French] [ACD/IUPAC Name]
(1S,2S)-N,N'-Bis[7-(trifluoromethyl)-4-quinolinyl]-1,2-cyclohexanediamine [ACD/IUPAC Name]
1,2-Cyclohexanediamine, N1,N2-bis[7-(trifluoromethyl)-4-quinolinyl]-, (1S,2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 13698.68
ACD/KOC (pH 5.5): 20065.57
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67173.66
ACD/KOC (pH 7.4): 98394.74
Polar Surface Area: 50 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 358.0±3.0 cm3

Click to predict properties on the Chemicalize site


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