ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-N-[4-(benzyloxy)-3,5-dibromobenzyl]methanamine | C22H19Br2NO3

1-(1,3-Benzodioxol-5-yl)-N-[4-(benzyloxy)-3,5-dibromobenzyl]methanamine

  • Molecular FormulaC22H19Br2NO3
  • Average mass505.199 Da
  • Monoisotopic mass502.973145 Da
  • ChemSpider ID11870435

More details:

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

1-(1,3-Benzodioxol-5-yl)-N-[4-(benzyloxy)-3,5-dibrombenzyl]methanamin [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-N-[4-(benzyloxy)-3,5-dibromobenzyl]methanamine [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-N-[4-(benzyloxy)-3,5-dibromobenzyl]méthanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-methanamine, N-[[3,5-dibromo-4-(phenylmethoxy)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 575.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 30.42
ACD/KOC (pH 5.5): 79.60
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1543.61
ACD/KOC (pH 7.4): 4039.25
Polar Surface Area: 40 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


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