ChemSpider 2D Image | 5,6-Diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]-2-indanaminium | C24H29N2O3

5,6-Diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]-2-indanaminium

  • Molecular FormulaC24H29N2O3
  • Average mass393.498 Da
  • Monoisotopic mass393.217255 Da
  • ChemSpider ID28533224

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-, conjugate monoacid [ACD/Index Name]
5,6-Diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-chinolinyl)ethyl]-2-indanaminium [German] [ACD/IUPAC Name]
5,6-Diéthyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinoléinyl)éthyl]-2-indanaminium [French] [ACD/IUPAC Name]
5,6-Diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]-2-indanaminium [ACD/IUPAC Name]
5,6-diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]indan-2-aminium
indacaterol cation
indacaterol(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of indacaterol, obtained by protonation of the secondary amino group. ChEBI CHEBI:68574

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

Density:
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 73.86
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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