ChemSpider 2D Image | (-)-Desethylchloroquine | C16H22ClN3

(-)-Desethylchloroquine

  • Molecular FormulaC16H22ClN3
  • Average mass291.819 Da
  • Monoisotopic mass291.150238 Da
  • ChemSpider ID57643474

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-Desethylchloroquine
(4R)-N4-(7-Chlor-4-chinolinyl)-N1-ethyl-1,4-pentandiamin [German] [ACD/IUPAC Name]
(4R)-N4-(7-Chloro-4-quinoléinyl)-N1-éthyl-1,4-pentanediamine [French] [ACD/IUPAC Name]
(4R)-N4-(7-Chloro-4-quinolinyl)-N1-ethyl-1,4-pentanediamine [ACD/IUPAC Name]
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1-ethyl-, (4R)- [ACD/Index Name]
106848-88-8 [RN]
(R)-Desethylchloroquine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.0±27.3 °C
Index of Refraction: 1.603
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 37 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 256.4±3.0 cm3

Click to predict properties on the Chemicalize site


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