3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine hydrochloride

• ChemBase ID: 64715
• Molecular Formular: C6H9BrClN3
• Molecular Mass: 238.51276
• Monoisotopic Mass: 236.96683698
• SMILES: n12c(cnc1CNCC2)Br.Cl
• Canonical SMILES: Brc1cnc2n1CCNC2.Cl
• InChI: InChI=1S/C6H8BrN3.ClH/c7-5-3-9-6-4-8-1-2-10(5)6;/h3,8H,1-2,4H2;1H
• InChIKey: DHCCQMBHQKWEMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine hydrochloride
• IUPAC Traditional name: 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine hydrochloride
• Synonyms: 3-Bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride

Database IDs

• CAS Number: 954239-19-1
• MDL Number: MFCD09878591
• PubChem SID: 162030454
• PubChem CID: 44118289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4106052
• LogD (pH = 7.4): -0.11587261
• Log P: 0.0075503155
• Molar Refractivity: 41.9203 cm^3
• Polarizability: 16.331284 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%