ChemSpider 2D Image | 1-(2-Methylphenoxy)-3-{[(5-methyl-2-thienyl)methyl](propyl)amino}-2-propanol | C19H27NO2S

1-(2-Methylphenoxy)-3-{[(5-methyl-2-thienyl)methyl](propyl)amino}-2-propanol

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID22626355

More details:






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

1-(2-Methylphenoxy)-3-{[(5-methyl-2-thienyl)methyl](propyl)amino}-2-propanol [ACD/IUPAC Name]
1-(2-Methylphenoxy)-3-{[(5-methyl-2-thienyl)methyl](propyl)amino}-2-propanol [German] [ACD/IUPAC Name]
1-(2-Méthylphénoxy)-3-{[(5-méthyl-2-thiényl)méthyl](propyl)amino}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(2-methylphenoxy)-3-[[(5-methyl-2-thienyl)methyl]propylamino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.4±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 17.90
ACD/KOC (pH 5.5): 90.37
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 544.29
ACD/KOC (pH 7.4): 2747.25
Polar Surface Area: 61 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 300.3±3.0 cm3

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