ChemSpider 2D Image | 3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid | C21H20N4O2

3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid

  • Molecular FormulaC21H20N4O2
  • Average mass360.409 Da
  • Monoisotopic mass360.158630 Da
  • ChemSpider ID30656847

More details:

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

3-[(1-Isobutyl-1H-imidazo[4,5-c]chinolin-4-yl)amino]benzoesäure [German] [ACD/IUPAC Name]
3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid [ACD/IUPAC Name]
Acide 3-[(1-isobutyl-1H-imidazo[4,5-c]quinoléin-4-yl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-yl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.6±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 18.86
ACD/KOC (pH 5.5): 82.48
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 9.02
Polar Surface Area: 80 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 274.2±7.0 cm3

Click to predict properties on the Chemicalize site


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