ChemSpider 2D Image | 2-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]ethanamine | C11H17NO2S

2-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC11H17NO2S
  • Average mass227.323 Da
  • Monoisotopic mass227.097992 Da
  • ChemSpider ID21106411

More details:






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

2-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[3,4-Diméthoxy-5-(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,4-dimethoxy-5-(methylthio)- [ACD/Index Name]
2-(3,4-Dimethoxy-5-methylsulfanyl-phenyl)-ethylamine
78335-85-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 337.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 158.1±27.9 °C
Index of Refraction: 1.559
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 70 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 201.3±5.0 cm3

Click to predict properties on the Chemicalize site






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