ChemSpider 2D Image | 4-[4-(Diammoniomethyl)phenyl]-2-(4-fluorobenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-5-ium | C23H28FN4O2

4-[4-(Diammoniomethyl)phenyl]-2-(4-fluorobenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-5-ium

  • Molecular FormulaC23H28FN4O2
  • Average mass411.491 Da
  • Monoisotopic mass411.217987 Da
  • ChemSpider ID21202262

  • Charge - Charge

More details:

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

4-[4-(Diammoniomethyl)phenyl]-2-(4-fluorbenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-5-ium [German] [ACD/IUPAC Name]
4-[4-(Diammoniomethyl)phenyl]-2-(4-fluorobenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-5-ium [ACD/IUPAC Name]
4-[4-(Diammoniométhyl)phényl]-2-(4-fluorobenzyl)-1,3-dioxodécahydropyrrolo[3,4-a]pyrrolizin-5-ium [French] [ACD/IUPAC Name]
Pyrrolo[3,4-a]pyrrolizinium, 4-[4-(diammoniomethyl)phenyl]-2-[(4-fluorophenyl)methyl]decahydro-1,3-dioxo- [ACD/Index Name]

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

Density:
Boiling Point: 633.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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