ChemSpider 2D Image | 1-(2,4-Dimethylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol | C16H27NO2S

1-(2,4-Dimethylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol

  • Molecular FormulaC16H27NO2S
  • Average mass297.456 Da
  • Monoisotopic mass297.176239 Da
  • ChemSpider ID22413360

More details:

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

1-(2,4-Dimethylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol [ACD/IUPAC Name]
1-(2,4-Dimethylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol [German] [ACD/IUPAC Name]
1-(2,4-Diméthylphénoxy)-3-{[4-(méthylsulfanyl)-2-butanyl]amino}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(2,4-dimethylphenoxy)-3-[[1-methyl-3-(methylthio)propyl]amino]- [ACD/Index Name]
1-(2,4-dimethylphenoxy)-3-{[1-methyl-3-(methylthio)propyl]amino}-2-propanol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 451.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.1±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 9.43
ACD/KOC (pH 7.4): 56.06
Polar Surface Area: 67 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

Click to predict properties on the Chemicalize site


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