ChemSpider 2D Image | 2-{(1R,2R)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione | C30H32N2O2

2-{(1R,2R)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC30H32N2O2
  • Average mass452.587 Da
  • Monoisotopic mass452.246368 Da
  • ChemSpider ID30656687

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(1R,2R)-2-[bis[(4-methylphenyl)methyl]amino]cyclohexyl]- [ACD/Index Name]
2-{(1R,2R)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{(1R,2R)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{(1R,2R)-2-[Bis(4-méthylbenzyl)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione [French] [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: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 235.2±22.5 °C
Index of Refraction: 1.646
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 359.27
ACD/KOC (pH 5.5): 588.90
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 16636.53
ACD/KOC (pH 7.4): 27269.52
Polar Surface Area: 41 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


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