N'-hydroxynaphthalene-1-carboximidamide

• ChemBase ID: 266799
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(/C(=N/O)/N)c2c(ccc1)cccc2
• Canonical SMILES: O/N=C(/c1cccc2c1cccc2)\N
• InChI: InChI=1S/C11H10N2O/c12-11(13-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H2,12,13)
• InChIKey: XCCXRWMQIFDSFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxynaphthalene-1-carboximidamide
• IUPAC Traditional name: N'-hydroxynaphthalene-1-carboximidamide
• Synonyms: N'-hydroxynaphthalene-1-carboximidamide

Database IDs

• MDL Number: MFCD01001366
• PubChem SID: 164322709
• PubChem CID: 13676611

CALCULATED PROPERTIES

• Acid pKa: 9.875424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7781818
• LogD (pH = 7.4): 1.8769166
• Log P: 1.8800093
• Molar Refractivity: 55.5304 cm^3
• Polarizability: 22.256716 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.198

Product Information

• Purity: 95%