(Z)-N'-hydroxyquinoline-2-carboximidamide

• ChemBase ID: 282157
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: n1c(/C(=N/O)/N)ccc2c1cccc2
• Canonical SMILES: O/N=C(/c1ccc2c(n1)cccc2)\N
• InChI: InChI=1S/C10H9N3O/c11-10(13-14)9-6-5-7-3-1-2-4-8(7)12-9/h1-6,14H,(H2,11,13)
• InChIKey: DEQWPCQMOAQNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxyquinoline-2-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxyquinoline-2-carboximidamide
• Synonyms: N'-hydroxyquinoline-2-carboximidamide

Database IDs

• MDL Number: MFCD05663239
• PubChem SID: 180667688
• PubChem CID: 6347062

CALCULATED PROPERTIES

• Acid pKa: 10.895013
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.43341
• LogD (pH = 7.4): 1.4338888
• Log P: 1.4340376
• Molar Refractivity: 52.6295 cm^3
• Polarizability: 21.339048 Å^3
• Polar Surface Area: 71.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.911

Product Information

• Purity: 95%