(E)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine

• ChemBase ID: 250933
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c1(c2c(ccc1OC)cccc2)/C=N/O
• Canonical SMILES: O/N=C/c1c(OC)ccc2c1cccc2
• InChI: InChI=1S/C12H11NO2/c1-15-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14/h2-8,14H,1H3/b13-8+
• InChIKey: VHXRWOTZOBRMJG-MDWZMJQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
• Synonyms: 2-methoxy-1-naphthaldehyde oxime

Database IDs

• CAS Number: 99806-91-4
• MDL Number: MFCD00228338
• PubChem SID: 164306843
• PubChem CID: 6898846

CALCULATED PROPERTIES

• Acid pKa: 7.5884185
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5232134
• LogD (pH = 7.4): 2.311252
• Log P: 2.5270333
• Molar Refractivity: 59.3771 cm^3
• Polarizability: 23.626318 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.637

Product Information

• Purity: 95%