ChemSpider 2D Image | 1-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]-2-propanamine | C12H19NOS

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

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID21106409

More details:

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

1-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[5-Methoxy-4-methyl-2-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[5-Méthoxy-4-méthyl-2-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
1-[5-methoxy-4-methyl-2-(methylsulfanyl)phenyl]propan-2-amine
Benzeneethanamine, 5-methoxy-α,4-dimethyl-2-(methylthio)- [ACD/Index Name]
2-(5-Methoxy-4-methyl-2-methylsulfanyl-phenyl)-1-methyl-ethylamine
207740-44-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 331.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 154.2±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.41
Polar Surface Area: 61 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 212.0±5.0 cm3

Click to predict properties on the Chemicalize site


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