ChemSpider 2D Image | 1-(4-Amino-4-oxo-3,3-diphenylbutyl)azepanium | C22H29N2O

1-(4-Amino-4-oxo-3,3-diphenylbutyl)azepanium

  • Molecular FormulaC22H29N2O
  • Average mass337.478 Da
  • Monoisotopic mass337.227448 Da
  • ChemSpider ID128919685

  • Charge - Charge

More details:

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

1-(4-Amino-4-oxo-3,3-diphenylbutyl)azepanium [German] [ACD/IUPAC Name]
1-(4-Amino-4-oxo-3,3-diphenylbutyl)azepanium [ACD/IUPAC Name]
1-(4-Amino-4-oxo-3,3-diphénylbutyl)azépanium [French] [ACD/IUPAC Name]
1H-Azepine-1-butanamide, hexahydro-α,α-diphenyl-, conjugate monoacid [ACD/Index Name]
1-(4-amino-4-oxo-3,3-diphenylbutyl)azepan-1-ium
buzepide cation
buzepide(1+)
  • Miscellaneous

    • Chemical Class:

      A tertiary ammonium ion that is the conjugate acid of buzepide, resulting from the protonation of the azepane tertiary amino group. Major microspecies at pH 7.3. ChEBI CHEBI:157622

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

Density:
Boiling Point: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.02
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 8.84
ACD/KOC (pH 7.4): 52.44
Polar Surface Area: 48 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement