ChemSpider 2D Image | N,N-Dimethyl-2-{4-[4-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-5-(4(1H)-pyridinylidene)-4,5-dihydro-1H-imidazol-2-yl]phenoxy}ethanamine | C27H27N5O2

N,N-Dimethyl-2-{4-[4-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-5-(4(1H)-pyridinylidene)-4,5-dihydro-1H-imidazol-2-yl]phenoxy}ethanamine

  • Molecular FormulaC27H27N5O2
  • Average mass453.536 Da
  • Monoisotopic mass453.216461 Da
  • ChemSpider ID57643218

More details:

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

405554-55-4 [RN]
Ethanamine, 2-[4-[4-(2,3-dihydro-1-nitroso-5H-inden-5-ylidene)-4,5-dihydro-5-(4(1H)-pyridinylidene)-1H-imidazol-2-yl]phenoxy]-N,N-dimethyl- [ACD/Index Name]
N,N-Dimethyl-2-{4-[4-(1-nitroso-2,3-dihydro-5H-inden-5-yliden)-5-(4(1H)-pyridinyliden)-4,5-dihydro-1H-imidazol-2-yl]phenoxy}ethanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-{4-[4-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-5-(4(1H)-pyridinylidene)-4,5-dihydro-1H-imidazol-2-yl]phenoxy}ethanamine [ACD/IUPAC Name]
N,N-Diméthyl-2-{4-[4-(1-nitroso-2,3-dihydro-5H-indén-5-ylidène)-5-(4(1H)-pyridinylidène)-4,5-dihydro-1H-imidazol-2-yl]phénoxy}éthanamine [French] [ACD/IUPAC Name]
SB590885

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.0±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 37.27
Polar Surface Area: 78 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 355.9±7.0 cm3

Click to predict properties on the Chemicalize site


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