ChemSpider 2D Image | N,N-Dimethyl-2-[6-(methylsulfanyl)-1H-indol-3-yl]ethanamine | C13H18N2S

N,N-Dimethyl-2-[6-(methylsulfanyl)-1H-indol-3-yl]ethanamine

  • Molecular FormulaC13H18N2S
  • Average mass234.360 Da
  • Monoisotopic mass234.119064 Da
  • ChemSpider ID23126489

More details:

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

1H-Indole-3-ethanamine, N,N-dimethyl-6-(methylthio)- [ACD/Index Name]
N,N-Dimethyl-2-[6-(methylsulfanyl)-1H-indol-3-yl]ethanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-[6-(methylsulfanyl)-1H-indol-3-yl]ethanamine [ACD/IUPAC Name]
N,N-Diméthyl-2-[6-(méthylsulfanyl)-1H-indol-3-yl]éthanamine [French] [ACD/IUPAC Name]
Dimethyl-[2-(6-methylsulfanyl-1H-indol-3-yl)-ethyl]-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417480/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 195.9±25.9 °C
Index of Refraction: 1.630
Molar Refractivity: 73.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 13.62
Polar Surface Area: 44 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 205.9±5.0 cm3

Click to predict properties on the Chemicalize site


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