ChemSpider 2D Image | 3',6'-Bis(ethylamino)-2-{2-[(E)-(2-hydroxybenzylidene)amino]ethyl}-2',7'-dimethylspiro[isoindole-1,9'-xanthen]-3(2H)-one | C35H36N4O3

3',6'-Bis(ethylamino)-2-{2-[(E)-(2-hydroxybenzylidene)amino]ethyl}-2',7'-dimethylspiro[isoindole-1,9'-xanthen]-3(2H)-one

  • Molecular FormulaC35H36N4O3
  • Average mass560.685 Da
  • Monoisotopic mass560.278748 Da
  • ChemSpider ID21195527

  • Double-bond stereo - Double-bond stereo

More details:

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

3',6'-Bis(ethylamino)-2-{2-[(E)-(2-hydroxybenzyliden)amino]ethyl}-2',7'-dimethylspiro[isoindole-1,9'-xanthen]-3(2H)-on [German] [ACD/IUPAC Name]
3',6'-Bis(ethylamino)-2-{2-[(E)-(2-hydroxybenzylidene)amino]ethyl}-2',7'-dimethylspiro[isoindole-1,9'-xanthen]-3(2H)-one [ACD/IUPAC Name]
3',6'-Bis(éthylamino)-2-{2-[(E)-(2-hydroxybenzylidène)amino]éthyl}-2',7'-diméthylspiro[isoindole-1,9'-xanthen]-3(2H)-one [French] [ACD/IUPAC Name]
Spiro[1H-isoindole-1,9'-[9H]xanthen]-3(2H)-one, 3',6'-bis(ethylamino)-2-[2-[[(1E)-(2-hydroxyphenyl)methylene]amino]ethyl]-2',7'-dimethyl- [ACD/Index 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: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 164.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 36422.43
ACD/KOC (pH 5.5): 56777.36
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 44333.48
ACD/KOC (pH 7.4): 69109.55
Polar Surface Area: 86 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 451.8±7.0 cm3

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