ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-N-{[5-(4-bromo-2-chlorophenyl)-2-furyl]methyl}methanamine | C19H15BrClNO3

1-(1,3-Benzodioxol-5-yl)-N-{[5-(4-bromo-2-chlorophenyl)-2-furyl]methyl}methanamine

  • Molecular FormulaC19H15BrClNO3
  • Average mass420.684 Da
  • Monoisotopic mass418.992371 Da
  • ChemSpider ID28241371

More details:

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

1-(1,3-Benzodioxol-5-yl)-N-{[5-(4-brom-2-chlorphenyl)-2-furyl]methyl}methanamin [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-N-{[5-(4-bromo-2-chlorophenyl)-2-furyl]methyl}methanamine [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-N-{[5-(4-bromo-2-chlorophényl)-2-furyl]méthyl}méthanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-methanamine, N-[[5-(4-bromo-2-chlorophenyl)-2-furanyl]methyl]- [ACD/Index Name]
1-(1,3-benzodioxol-5-yl)-N-{[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl}methanamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 489.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±27.3 °C
Index of Refraction: 1.632
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 48.26
ACD/KOC (pH 5.5): 150.04
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2065.52
ACD/KOC (pH 7.4): 6421.37
Polar Surface Area: 44 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 279.2±3.0 cm3

Click to predict properties on the Chemicalize site


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