ChemSpider 2D Image | 2-Methyl-2-propanyl 2-methyl-4-[4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-1-piperazinecarboxylate | C22H25Br4N3O5

2-Methyl-2-propanyl 2-methyl-4-[4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-1-piperazinecarboxylate

  • Molecular FormulaC22H25Br4N3O5
  • Average mass731.067 Da
  • Monoisotopic mass726.852722 Da
  • ChemSpider ID120461041

More details:

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

1-Piperazinecarboxylic acid, 2-methyl-4-[1-oxo-4-(4,5,6,7-tetrabromo-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 2-methyl-4-[4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-methyl-4-[4-(4,5,6,7-tetrabrom-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
2-Méthyl-4-[4-(4,5,6,7-tétrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 729.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12741.58
ACD/KOC (pH 5.5): 30206.95
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12741.62
ACD/KOC (pH 7.4): 30207.05
Polar Surface Area: 87 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 403.4±3.0 cm3

Click to predict properties on the Chemicalize site


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