ChemSpider 2D Image | N-1,3-Benzodioxol-5-yl-N~2~-methyl-N~2~-[4-(methylsulfanyl)benzyl]alaninamide | C19H22N2O3S

N-1,3-Benzodioxol-5-yl-N2-methyl-N2-[4-(methylsulfanyl)benzyl]alaninamide

  • Molecular FormulaC19H22N2O3S
  • Average mass358.455 Da
  • Monoisotopic mass358.135101 Da
  • ChemSpider ID21692652

More details:

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

N-1,3-Benzodioxol-5-yl-N2-methyl-N2-[4-(methylsulfanyl)benzyl]alaninamid [German] [ACD/IUPAC Name]
N-1,3-Benzodioxol-5-yl-N2-methyl-N2-[4-(methylsulfanyl)benzyl]alaninamide [ACD/IUPAC Name]
N-1,3-Benzodioxol-5-yl-N2-méthyl-N2-[4-(méthylsulfanyl)benzyl]alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-1,3-benzodioxol-5-yl-2-[methyl[[4-(methylthio)phenyl]methyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 27.96
ACD/KOC (pH 5.5): 221.19
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 171.47
ACD/KOC (pH 7.4): 1356.57
Polar Surface Area: 76 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 282.4±5.0 cm3

Click to predict properties on the Chemicalize site


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