ChemSpider 2D Image | trans-N-(3-{2-[(3-Fluoro-2-pyridinyl)amino]-5-pyrimidinyl}imidazo[1,2-b]pyridazin-6-yl)-1,4-cyclohexanediamine | C21H22FN9

trans-N-(3-{2-[(3-Fluoro-2-pyridinyl)amino]-5-pyrimidinyl}imidazo[1,2-b]pyridazin-6-yl)-1,4-cyclohexanediamine

  • Molecular FormulaC21H22FN9
  • Average mass419.458 Da
  • Monoisotopic mass419.198212 Da
  • ChemSpider ID34257311

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Cyclohexanediamine, N1-[3-[2-[(3-fluoro-2-pyridinyl)amino]-5-pyrimidinyl]imidazo[1,2-b]pyridazin-6-yl]-, trans- [ACD/Index Name]
trans-N-(3-{2-[(3-Fluor-2-pyridinyl)amino]-5-pyrimidinyl}imidazo[1,2-b]pyridazin-6-yl)-1,4-cyclohexandiamin [German] [ACD/IUPAC Name]
trans-N-(3-{2-[(3-Fluoro-2-pyridinyl)amino]-5-pyrimidinyl}imidazo[1,2-b]pyridazin-6-yl)-1,4-cyclohexanediamine [ACD/IUPAC Name]
trans-N-(3-{2-[(3-Fluoro-2-pyridinyl)amino]-5-pyrimidinyl}imidazo[1,2-b]pyridazin-6-yl)-1,4-cyclohexanediamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.779
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 271.3±7.0 cm3

Click to predict properties on the Chemicalize site


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