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

• ChemBase ID: 67609
• Molecular Formular: C6H5BrN4
• Molecular Mass: 213.0347
• Monoisotopic Mass: 211.96975818
• SMILES: Nc1ccc2n(n1)c(cn2)Br
• Canonical SMILES: Nc1ccc2n(n1)c(Br)cn2
• InChI: InChI=1S/C6H5BrN4/c7-4-3-9-6-2-1-5(8)10-11(4)6/h1-3H,(H2,8,10)
• InChIKey: PBRMNGMQOGOTHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1260850-70-1
• MDL Number: MFCD11520885
• PubChem SID: 162033344
• PubChem CID: 56763822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8840706
• LogD (pH = 7.4): 0.8875675
• Log P: 0.88761234
• Molar Refractivity: 56.1923 cm^3
• Polarizability: 16.547832 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+%