ChemSpider 2D Image | 3-[2-(4-Aminophenyl)ethyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepinium | C20H27N2O2

3-[2-(4-Aminophenyl)ethyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepinium

  • Molecular FormulaC20H27N2O2
  • Average mass327.440 Da
  • Monoisotopic mass327.206696 Da
  • ChemSpider ID21220728

  • Charge - Charge

More details:

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

1H-3-Benzazepinium, 3-[2-(4-aminophenyl)ethyl]-2,3,4,5-tetrahydro-7,8-dimethoxy- [ACD/Index Name]
3-[2-(4-Aminophenyl)ethyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepinium [ACD/IUPAC Name]
3-[2-(4-Aminophenyl)ethyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepinium [German] [ACD/IUPAC Name]
3-[2-(4-Aminophényl)éthyl]-7,8-diméthoxy-2,3,4,5-tétrahydro-1H-3-benzazépinium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 494.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.1±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.91
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 10.13
ACD/KOC (pH 7.4): 85.79
Polar Surface Area: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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