4-{3-bromoimidazo[1,2-b]pyridazin-6-yl}morpholine

• ChemBase ID: 67610
• Molecular Formular: C10H11BrN4O
• Molecular Mass: 283.12454
• Monoisotopic Mass: 282.01162299
• SMILES: N1(CCOCC1)c1ccc2n(n1)c(cn2)Br
• Canonical SMILES: Brc1cnc2n1nc(cc2)N1CCOCC1
• InChI: InChI=1S/C10H11BrN4O/c11-8-7-12-9-1-2-10(13-15(8)9)14-3-5-16-6-4-14/h1-2,7H,3-6H2
• InChIKey: ZHDRUVUETRNEBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-bromoimidazo[1,2-b]pyridazin-6-yl}morpholine
• IUPAC Traditional name: 4-{3-bromoimidazo[1,2-b]pyridazin-6-yl}morpholine
• Synonyms: 4-(3-Bromoimidazo[1,2-b]pyridazin-6-yl)morpholine

Database IDs

• CAS Number: 1012343-72-4
• MDL Number: MFCD11520886
• PubChem SID: 162033345
• PubChem CID: 56763823

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6030337
• LogD (pH = 7.4): 1.6060431
• Log P: 1.6060817
• Molar Refractivity: 74.995 cm^3
• Polarizability: 23.840311 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%