ChemSpider 2D Image | (1S)-1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-{[2-(cyclopropylamino)ethyl]amino}ethanol | C18H19F6N3O

(1S)-1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-{[2-(cyclopropylamino)ethyl]amino}ethanol

  • Molecular FormulaC18H19F6N3O
  • Average mass407.353 Da
  • Monoisotopic mass407.143219 Da
  • ChemSpider ID26620408

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[2,8-Bis(trifluormethyl)-4-chinolinyl]-2-{[2-(cyclopropylamino)ethyl]amino}ethanol [German] [ACD/IUPAC Name]
(1S)-1-[2,8-Bis(trifluorométhyl)-4-quinoléinyl]-2-{[2-(cyclopropylamino)éthyl]amino}éthanol [French] [ACD/IUPAC Name]
(1S)-1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-{[2-(cyclopropylamino)ethyl]amino}ethanol [ACD/IUPAC Name]
4-Quinolinemethanol, α-[[[2-(cyclopropylamino)ethyl]amino]methyl]-2,8-bis(trifluoromethyl)-, (αS)- [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: 491.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.9±27.3 °C
Index of Refraction: 1.544
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 19.75
Polar Surface Area: 57 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 289.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement