ChemSpider 2D Image | N'-{[1-(2-Chloro-4-fluorobenzyl)-1H-indol-3-yl]methyl}-N,N-diethyl-1,2-ethanediamine | C22H27ClFN3

N'-{[1-(2-Chloro-4-fluorobenzyl)-1H-indol-3-yl]methyl}-N,N-diethyl-1,2-ethanediamine

  • Molecular FormulaC22H27ClFN3
  • Average mass387.921 Da
  • Monoisotopic mass387.187744 Da
  • ChemSpider ID78259591

More details:

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

1,2-Ethanediamine, N2-[[1-[(2-chloro-4-fluorophenyl)methyl]-1H-indol-3-yl]methyl]-N1,N1-diethyl- [ACD/Index Name]
N'-{[1-(2-Chlor-4-fluorbenzyl)-1H-indol-3-yl]methyl}-N,N-diethyl-1,2-ethandiamin [German] [ACD/IUPAC Name]
N'-{[1-(2-Chloro-4-fluorobenzyl)-1H-indol-3-yl]methyl}-N,N-diethyl-1,2-ethanediamine [ACD/IUPAC Name]
N'-{[1-(2-Chloro-4-fluorobenzyl)-1H-indol-3-yl]méthyl}-N,N-diéthyl-1,2-éthanediamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.8±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 5.52
ACD/KOC (pH 7.4): 16.52
Polar Surface Area: 20 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 337.9±7.0 cm3

Click to predict properties on the Chemicalize site


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