ChemSpider 2D Image | 1-Methoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine | C11H17NOS

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

  • Molecular FormulaC11H17NOS
  • Average mass211.324 Da
  • Monoisotopic mass211.103088 Da
  • ChemSpider ID74906717

More details:

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

1-Methoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-Methoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-Méthoxy-1-[4-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, β-methoxy-α-methyl-4-(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: 317.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 145.7±25.1 °C
Index of Refraction: 1.554
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 64.49
Polar Surface Area: 61 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 197.2±5.0 cm3

Click to predict properties on the Chemicalize site


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