(Z)-N'-hydroxyimidazo[1,2-a]pyridine-6-carboximidamide

• ChemBase ID: 42730
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c1(cn2c(ncc2)cc1)/C(=N/O)/N
• Canonical SMILES: O/N=C(/c1ccc2n(c1)ccn2)\N
• InChI: InChI=1S/C8H8N4O/c9-8(11-13)6-1-2-7-10-3-4-12(7)5-6/h1-5,13H,(H2,9,11)
• InChIKey: HUGFFTYKXPZJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxyimidazo[1,2-a]pyridine-6-carboximidamide; N'-hydroxyimidazo[1,2-a]pyridine-6-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxyimidazo[1,2-a]pyridine-6-carboximidamide; N'-hydroxyimidazo[1,2-a]pyridine-6-carboximidamide
• Synonyms: N'-Hydroxyimidazo[1,2-a]pyridine-6-carboximidamide; N'-Hydroxyimidazo[1,2-a]pyridine-6-carboximidamide 95%

Database IDs

• CAS Number: 885950-24-3
• MDL Number: MFCD07366550
• PubChem SID: 162047493
• PubChem CID: 9581605

CALCULATED PROPERTIES

• Acid pKa: 11.670584
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0744764
• LogD (pH = 7.4): -0.36107728
• Log P: -0.32316384
• Molar Refractivity: 48.9586 cm^3
• Polarizability: 17.689991 Å^3
• Polar Surface Area: 75.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193 °C; 191-193°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%