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

• ChemBase ID: 77130
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: N/C(=N\O)/c1cc2ccccc2cc1
• Canonical SMILES: O/N=C(/c1ccc2c(c1)cccc2)\N
• InChI: InChI=1S/C11H10N2O/c12-11(13-14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,14H,(H2,12,13)
• InChIKey: UHJICFSTOCFOND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxynaphthalene-2-carboximidamide; N'-hydroxynaphthalene-2-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxynaphthalene-2-carboximidamide; N'-hydroxynaphthalene-2-carboximidamide
• Synonyms: N'-hydroxy-2-naphthalenecarboximidamide; N'-Hydroxynaphthalene-2-carboximidamide; N'-Hydroxynaphthalene-2-carboxamidine; Naphthalene-2-amidoxime

Database IDs

• CAS Number: 64893-54-5
• MDL Number: MFCD06200876
• PubChem SID: 162042004
• PubChem CID: 9582831

CALCULATED PROPERTIES

• Acid pKa: 10.058684
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7936269
• LogD (pH = 7.4): 1.8777419
• Log P: 1.8800093
• Molar Refractivity: 55.5304 cm^3
• Polarizability: 22.2543 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-148°C

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 97%