ChemSpider 2D Image | 1-[2-Methoxy-4-methyl-5-(methylsulfinyl)phenyl]-2-propanamine | C12H19NO2S

1-[2-Methoxy-4-methyl-5-(methylsulfinyl)phenyl]-2-propanamine

  • Molecular FormulaC12H19NO2S
  • Average mass241.350 Da
  • Monoisotopic mass241.113647 Da
  • ChemSpider ID21106387

More details:






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

1-[2-Methoxy-4-methyl-5-(methylsulfinyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[2-Methoxy-4-methyl-5-(methylsulfinyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[2-Méthoxy-4-méthyl-5-(méthylsulfinyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 2-methoxy-α,4-dimethyl-5-(methylsulfinyl)- [ACD/Index Name]
84910-95-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.7±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 208.5±5.0 cm3

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