ChemSpider 2D Image | TCMDC-138259 | C17H13F3N2

TCMDC-138259

  • Molecular FormulaC17H13F3N2
  • Average mass302.294 Da
  • Monoisotopic mass302.103088 Da
  • ChemSpider ID24578112

More details:

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

4-Quinolinamine, N-(phenylmethyl)-6-(trifluoromethyl)- [ACD/Index Name]
N-Benzyl-6-(trifluormethyl)-4-chinolinamin [German] [ACD/IUPAC Name]
N-Benzyl-6-(trifluorométhyl)-4-quinoléinamine [French] [ACD/IUPAC Name]
N-Benzyl-6-(trifluoromethyl)-4-quinolinamine [ACD/IUPAC Name]
N-Benzyl-6-(trifluoromethyl)quinolin-4-amine
TCMDC-138259
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.150549463 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point: 412.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.2±27.3 °C
Index of Refraction: 1.623
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 44.05
ACD/KOC (pH 5.5): 209.46
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 829.86
ACD/KOC (pH 7.4): 3945.90
Polar Surface Area: 25 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 230.4±3.0 cm3

Click to predict properties on the Chemicalize site


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