ChemSpider 2D Image | 2-{[1-(Carboxylatomethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]ammonio}-4-phenylbutanoate | C22H23N2O5

2-{[1-(Carboxylatomethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]ammonio}-4-phenylbutanoate

  • Molecular FormulaC22H23N2O5
  • Average mass395.429 Da
  • Monoisotopic mass395.161255 Da
  • ChemSpider ID21200433

  • Charge - Charge

More details:

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

1H-1-Benzazepin-3-aminium, 1-(carboxymethyl)-N-(1-carboxy-3-phenylpropyl)-2,3,4,5-tetrahydro-2-oxo-, inner salt, ion(1-) [ACD/Index Name]
2-{[1-(Carboxylatomethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]ammonio}-4-phenylbutanoat [German] [ACD/IUPAC Name]
2-{[1-(Carboxylatomethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]ammonio}-4-phenylbutanoate [ACD/IUPAC Name]
2-{[1-(Carboxylatométhyl)-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]ammonio}-4-phénylbutanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 711.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 384.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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