ChemSpider 2D Image | 2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]-5-(6-hydroxyhexylcarbamoyl)benzoic acid | C33H41N3O5

2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]-5-(6-hydroxyhexylcarbamoyl)benzoic acid

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID22378111

More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.8±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 23.70
ACD/KOC (pH 5.5): 63.01
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 13.62
ACD/KOC (pH 7.4): 36.22
Polar Surface Area: 120 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 447.8±5.0 cm3

Click to predict properties on the Chemicalize site






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