ChemSpider 2D Image | N-Desmethyl Olopatadine | C20H21NO3

N-Desmethyl Olopatadine

  • Molecular FormulaC20H21NO3
  • Average mass323.386 Da
  • Monoisotopic mass323.152130 Da
  • ChemSpider ID50645895

More details:

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

{11-[3-(Methylamino)propyliden]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}essigsäure [German] [ACD/IUPAC Name]
{11-[3-(Methylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid [ACD/IUPAC Name]
113835-92-0 [RN]
Acide {11-[3-(méthylamino)propylidène]-6,11-dihydrodibenzo[b,e]oxépin-2-yl}acétique [French] [ACD/IUPAC Name]
Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-[3-(methylamino)propylidene]- [ACD/Index Name]
N-Desmethyl Olopatadine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.62
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 9.87
Polar Surface Area: 59 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 261.3±3.0 cm3

Click to predict properties on the Chemicalize site


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