ChemSpider 2D Image | 4-(6-{[(2R)-1-Hydroxy-2-butanyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid | C17H18N4O3

4-(6-{[(2R)-1-Hydroxy-2-butanyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid

  • Molecular FormulaC17H18N4O3
  • Average mass326.350 Da
  • Monoisotopic mass326.137878 Da
  • ChemSpider ID25057456

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
4-(6-{[(2R)-1-Hydroxy-2-butanyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(6-{[(2R)-1-Hydroxy-2-butanyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(6-{[(2R)-1-hydroxy-2-butanyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[6-[[(1R)-1-(hydroxymethyl)propyl]amino]imidazo[1,2-b]pyridazin-3-yl]- [ACD/Index Name]
4-(6-{[(2R)-1-hydroxybutan-2-yl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
4RB

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 88.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.02
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 236.6±7.0 cm3

Click to predict properties on the Chemicalize site


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