ChemSpider 2D Image | N~3~-Benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | C21H18BrN5O2

N3-Benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine

  • Molecular FormulaC21H18BrN5O2
  • Average mass452.304 Da
  • Monoisotopic mass451.064392 Da
  • ChemSpider ID35033936

More details:

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

Imidazo[1,2-a]pyrazine-3,8-diamine, 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N3-(phenylmethyl)- [ACD/Index Name]
N3-Benzyl-2-[(6-brom-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazin-3,8-diamin [German] [ACD/IUPAC Name]
N3-Benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine [ACD/IUPAC Name]
N3-Benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)méthyl]imidazo[1,2-a]pyrazine-3,8-diamine [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.749
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 54.56
ACD/KOC (pH 5.5): 424.08
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.17
ACD/KOC (pH 7.4): 1470.29
Polar Surface Area: 87 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 275.1±7.0 cm3

Click to predict properties on the Chemicalize site


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