ChemSpider 2D Image | 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium | C28H36N2O

1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium

  • Molecular FormulaC28H36N2O
  • Average mass416.597 Da
  • Monoisotopic mass416.281677 Da
  • ChemSpider ID27471376

  • Charge - Charge

More details:

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

1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+)
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazindiium [German] [ACD/IUPAC Name]
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium [ACD/IUPAC Name]
1-[2-(Diphénylméthoxy)éthyl]-4-(3-phénylpropyl)pipérazinediium [French] [ACD/IUPAC Name]
Piperazine, 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)-, conjugate diacid [ACD/Index Name]
GBR 12935 dication
GBR 12935(2+)

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

CHEBI:64092 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the two tertiary amino functions of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine. ChEBI CHEBI:64092

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

Density:
Boiling Point: 540.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 143.9±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 108.79
ACD/KOC (pH 5.5): 255.29
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 4958.61
ACD/KOC (pH 7.4): 11636.35
Polar Surface Area: 18 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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