ChemSpider 2D Image | Ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate | C28H30N2O3

Ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate

  • Molecular FormulaC28H30N2O3
  • Average mass442.549 Da
  • Monoisotopic mass442.225647 Da
  • ChemSpider ID35339595

More details:

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

2-[6-(Éthylamino)-3-(éthylimino)-2,7-diméthyl-3H-xanthén-9-yl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester [ACD/Index Name]
Ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate [ACD/IUPAC Name]
Ethyl-2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoat [German] [ACD/IUPAC Name]
47724-48-1 [RN]
MFCD00069656

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 833.87
ACD/KOC (pH 5.5): 1153.21
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 4173.08
ACD/KOC (pH 7.4): 5771.19
Polar Surface Area: 60 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 384.2±7.0 cm3

Click to predict properties on the Chemicalize site


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