ChemSpider 2D Image | 2-[4-Ethyl-2-methoxy-5-(methylsulfanyl)phenyl]ethanamine | C12H19NOS

2-[4-Ethyl-2-methoxy-5-(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID45598234

More details:






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

2-[4-Ethyl-2-methoxy-5-(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[4-Ethyl-2-methoxy-5-(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[4-Éthyl-2-méthoxy-5-(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-ethyl-2-methoxy-5-(methylthio)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 335.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 156.9±27.9 °C
Index of Refraction: 1.555
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.31
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): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.33
Polar Surface Area: 61 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 211.4±5.0 cm3

Click to predict properties on the Chemicalize site






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