ChemSpider 2D Image | N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-4-hydroxy-8-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide | C21H23Br4N3O6

N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-4-hydroxy-8-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

  • Molecular FormulaC21H23Br4N3O6
  • Average mass733.040 Da
  • Monoisotopic mass728.832031 Da
  • ChemSpider ID64884269

More details:






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

1,6-Dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide, N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-4-hydroxy-8-methoxy- [ACD/Index Name]
N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-4-hydroxy-8-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide [ACD/IUPAC Name]
N-{3-[4-(2-Aminoéthyl)-2,6-dibromophénoxy]propyl}-7,9-dibromo-4-hydroxy-8-méthoxy-1,6-dioxa-2-azaspiro[4.6]undéca-2,7,9-triène-3-carboxamide [French] [ACD/IUPAC Name]
N-{3-[4-(2-Aminoethyl)-2,6-dibromphenoxy]propyl}-7,9-dibrom-4-hydroxy-8-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-trien-3-carboxamid [German] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 14.78
Polar Surface Area: 125 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 366.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement