ChemSpider 2D Image | 2-{3,5-Dimethoxy-4-[2-(methylsulfanyl)ethoxy]phenyl}ethanamine | C13H21NO3S

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

  • Molecular FormulaC13H21NO3S
  • Average mass271.376 Da
  • Monoisotopic mass271.124207 Da
  • ChemSpider ID71842516

More details:

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

2-{3,5-Dimethoxy-4-[2-(methylsulfanyl)ethoxy]phenyl}ethanamin [German] [ACD/IUPAC Name]
2-{3,5-Dimethoxy-4-[2-(methylsulfanyl)ethoxy]phenyl}ethanamine [ACD/IUPAC Name]
2-{3,5-Diméthoxy-4-[2-(méthylsulfanyl)éthoxy]phényl}éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,5-dimethoxy-4-[2-(methylthio)ethoxy]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.4±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 79 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

Click to predict properties on the Chemicalize site


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