ChemSpider 2D Image | 2-Hydroxy-3-[(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)oxy]-N-(2-methyl-2-propanyl)-1-propanaminium | C17H25N2O3

2-Hydroxy-3-[(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)oxy]-N-(2-methyl-2-propanyl)-1-propanaminium

  • Molecular FormulaC17H25N2O3
  • Average mass305.392 Da
  • Monoisotopic mass305.185974 Da
  • ChemSpider ID21259488

  • Charge - Charge

More details:

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

1(2H)-Isoquinolinone, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-2-methyl-, conjugate monoacid [ACD/Index Name]
2-Hydroxy-3-[(2-methyl-1-oxo-1,2-dihydro-4-isochinolinyl)oxy]-N-(2-methyl-2-propanyl)-1-propanaminium [German] [ACD/IUPAC Name]
2-Hydroxy-3-[(2-méthyl-1-oxo-1,2-dihydro-4-isoquinoléinyl)oxy]-N-(2-méthyl-2-propanyl)-1-propanaminium [French] [ACD/IUPAC Name]
2-Hydroxy-3-[(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)oxy]-N-(2-methyl-2-propanyl)-1-propanaminium [ACD/IUPAC Name]

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

Density:
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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