ChemSpider 2D Image | 1-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]-2-propanamine | C12H19NO2S

1-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC12H19NO2S
  • Average mass241.350 Da
  • Monoisotopic mass241.113647 Da
  • ChemSpider ID76376616

More details:

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

1-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[3,4-Dimethoxy-5-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[3,4-Diméthoxy-5-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,4-dimethoxy-α-methyl-5-(methylthio)- [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: 346.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.4±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 70 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 218.3±5.0 cm3

Click to predict properties on the Chemicalize site


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