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Search term: TZIBUOSWJBKVTA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-[4-Ethyl-5-methoxy-2-(methylsulfanyl)phenyl]-2-propanamine | C13H21NOS

1-[4-Ethyl-5-methoxy-2-(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC13H21NOS
  • Average mass239.377 Da
  • Monoisotopic mass239.134384 Da
  • ChemSpider ID21106408

More details:






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

1-[4-Ethyl-5-methoxy-2-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[4-Ethyl-5-methoxy-2-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[4-Éthyl-5-méthoxy-2-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-ethyl-5-methoxy-α-methyl-2-(methylthio)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 345.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 162.6±27.9 °C
Index of Refraction: 1.548
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 61 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 228.4±5.0 cm3

Click to predict properties on the Chemicalize site






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