ChemSpider 2D Image | N-{[1-(2-Chlorobenzyl)-1H-indol-3-yl]methyl}-1-hexanamine | C22H27ClN2

N-{[1-(2-Chlorobenzyl)-1H-indol-3-yl]methyl}-1-hexanamine

  • Molecular FormulaC22H27ClN2
  • Average mass354.916 Da
  • Monoisotopic mass354.186279 Da
  • ChemSpider ID21751652

More details:






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

1H-Indole-3-methanamine, 1-[(2-chlorophenyl)methyl]-N-hexyl- [ACD/Index Name]
N-{[1-(2-Chlorbenzyl)-1H-indol-3-yl]methyl}-1-hexanamin [German] [ACD/IUPAC Name]
N-{[1-(2-Chlorobenzyl)-1H-indol-3-yl]methyl}-1-hexanamine [ACD/IUPAC Name]
N-{[1-(2-Chlorobenzyl)-1H-indol-3-yl]méthyl}-1-hexanamine [French] [ACD/IUPAC Name]
({1-[(2-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}METHYL)(HEXYL)AMINE
({1-[(2-CHLOROPHENYL)METHYL]INDOL-3-YL}METHYL)(HEXYL)AMINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 505.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.8±27.3 °C
Index of Refraction: 1.577
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 97.64
ACD/KOC (pH 5.5): 122.20
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 241.76
ACD/KOC (pH 7.4): 302.58
Polar Surface Area: 17 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 325.1±7.0 cm3

Click to predict properties on the Chemicalize site






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