ChemSpider 2D Image | 2-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]ethanamine | C11H17NOS

2-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC11H17NOS
  • Average mass211.324 Da
  • Monoisotopic mass211.103088 Da
  • ChemSpider ID44807128

More details:






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

2-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[5-Méthoxy-4-méthyl-2-(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 5-methoxy-4-methyl-2-(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: 322.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.6±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.71
Polar Surface Area: 61 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 195.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement