ChemSpider 2D Image | 2-[6-(Methylsulfanyl)-1H-indol-3-yl]ethanamine | C11H14N2S

2-[6-(Methylsulfanyl)-1H-indol-3-yl]ethanamine

  • Molecular FormulaC11H14N2S
  • Average mass206.307 Da
  • Monoisotopic mass206.087769 Da
  • ChemSpider ID44830246

More details:

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

1H-Indole-3-ethanamine, 6-(methylthio)- [ACD/Index Name]
2-[6-(Methylsulfanyl)-1H-indol-3-yl]ethanamin [German] [ACD/IUPAC Name]
2-[6-(Methylsulfanyl)-1H-indol-3-yl]ethanamine [ACD/IUPAC Name]
2-[6-(Méthylsulfanyl)-1H-indol-3-yl]éthanamine [French] [ACD/IUPAC Name]
82173-67-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 411.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.9±24.6 °C
Index of Refraction: 1.671
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 67 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 170.4±5.0 cm3

Click to predict properties on the Chemicalize site


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