ChemSpider 2D Image | 2-{[(2E)-1-(8-Chlorodibenzo[b,f][1,4]oxazepin-10(11H)-yl)-1-oxo-2-nonen-4-yl]oxy}-2-oxoethanaminium | C24H28ClN2O4

2-{[(2E)-1-(8-Chlorodibenzo[b,f][1,4]oxazepin-10(11H)-yl)-1-oxo-2-nonen-4-yl]oxy}-2-oxoethanaminium

  • Molecular FormulaC24H28ClN2O4
  • Average mass443.943 Da
  • Monoisotopic mass443.173218 Da
  • ChemSpider ID21223644

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-1-(8-Chlordibenzo[b,f][1,4]oxazepin-10(11H)-yl)-1-oxo-2-nonen-4-yl]oxy}-2-oxoethanaminium [German] [ACD/IUPAC Name]
2-{[(2E)-1-(8-Chlorodibenzo[b,f][1,4]oxazepin-10(11H)-yl)-1-oxo-2-nonen-4-yl]oxy}-2-oxoethanaminium [ACD/IUPAC Name]
2-{[(2E)-1-(8-Chlorodibenzo[b,f][1,4]oxazépin-10(11H)-yl)-1-oxo-2-nonén-4-yl]oxy}-2-oxoéthanaminium [French] [ACD/IUPAC Name]
Ethanaminium, 2-[[1-[(1E)-3-(8-chlorodibenz[b,f][1,4]oxazepin-10(11H)-yl)-3-oxo-1-propen-1-yl]hexyl]oxy]-2-oxo- [ACD/Index Name]

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

Density:
Boiling Point: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 31.74
ACD/KOC (pH 5.5): 144.03
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 854.34
ACD/KOC (pH 7.4): 3877.31
Polar Surface Area: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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