6-chloroimidazo[1,2-b]pyridazin-3-amine

• ChemBase ID: 67093
• Molecular Formular: C6H5ClN4
• Molecular Mass: 168.5837
• Monoisotopic Mass: 168.02027386
• SMILES: Nc1n2c(ccc(n2)Cl)nc1
• Canonical SMILES: Clc1ccc2n(n1)c(N)cn2
• InChI: InChI=1S/C6H5ClN4/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H,8H2
• InChIKey: KZOZHHLJWBETLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-b]pyridazin-3-amine
• IUPAC Traditional name: 6-chloroimidazo[1,2-b]pyridazin-3-amine
• Synonyms: 6-Chloroimidazo[1,2-b]pyridazin-3-ylamine

Database IDs

• CAS Number: 166176-45-0
• MDL Number: MFCD09881451
• PubChem SID: 162032829
• PubChem CID: 10702273

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6535229
• LogD (pH = 7.4): 0.7363708
• Log P: 0.73755956
• Molar Refractivity: 53.5934 cm^3
• Polarizability: 15.536361 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%