ChemSpider 2D Image | 4,7-Bis(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclotridecane-2,9-dione | C13H22N4O6

4,7-Bis(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclotridecane-2,9-dione

  • Molecular FormulaC13H22N4O6
  • Average mass330.337 Da
  • Monoisotopic mass330.153931 Da
  • ChemSpider ID95726544

More details:






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

1,4,7,10-Tetraazacyclotridecane-2,9-dione, 4,7-bis(2,2-dihydroxyethenyl)- [ACD/Index Name]
4,7-Bis(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclotridecan-2,9-dion [German] [ACD/IUPAC Name]
4,7-Bis(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclotridecane-2,9-dione [ACD/IUPAC Name]
4,7-Bis(2,2-dihydroxyvinyl)-1,4,7,10-tétraazacyclotridécane-2,9-dione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.48
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 146 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 226.2±3.0 cm3

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