ChemSpider 2D Image | Diethyl 5,5'-[{[1-(bicyclo[2.2.1]hept-2-yl)ethyl]imino}bis(1-oxo-2,1-ethanediyl)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) | C31H43N3O6

Diethyl 5,5'-[{[1-(bicyclo[2.2.1]hept-2-yl)ethyl]imino}bis(1-oxo-2,1-ethanediyl)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)

  • Molecular FormulaC31H43N3O6
  • Average mass553.690 Da
  • Monoisotopic mass553.315186 Da
  • ChemSpider ID4053918

More details:

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

1H-Pyrrole-3-carboxylic acid, 5,5'-[[(1-bicyclo[2.2.1]hept-2-ylethyl)imino]bis(1-oxo-2,1-ethanediyl)]bis[2,4-dimethyl-, diethyl ester [ACD/Index Name]
5,5'-[{[1-(Bicyclo[2.2.1]hept-2-yl)éthyl]imino}bis(1-oxo-2,1-éthanediyl)]bis(2,4-diméthyl-1H-pyrrole-3-carboxylate) de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5,5'-[{[1-(bicyclo[2.2.1]hept-2-yl)ethyl]imino}bis(1-oxo-2,1-ethanediyl)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) [ACD/IUPAC Name]
Diethyl-5,5'-[{[1-(bicyclo[2.2.1]hept-2-yl)ethyl]imino}bis(1-oxo-2,1-ethandiyl)]bis(2,4-dimethyl-1H-pyrrol-3-carboxylat) [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.4±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 180614.64
ACD/KOC (pH 5.5): 188669.22
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 227071.95
ACD/KOC (pH 7.4): 237198.30
Polar Surface Area: 122 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 463.5±3.0 cm3

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