N-(naphthalen-2-ylmethylidene)hydroxylamine

• ChemBase ID: 110876
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: O/N=C/c1ccc2ccccc2c1
• Canonical SMILES: O/N=C/c1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H9NO/c13-12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8,13H
• InChIKey: VJSUSMMBIMGSHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-2-ylmethylidene)hydroxylamine
• IUPAC Traditional name: N-(naphthalen-2-ylmethylidene)hydroxylamine
• Synonyms: β-NAPHTHALDEHYDE OXIME

Database IDs

• PubChem SID: 162106419
• PubChem CID: 9563142

CALCULATED PROPERTIES

• Acid pKa: 8.846771
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.682606
• LogD (pH = 7.4): 2.6694143
• Log P: 2.6847048
• Molar Refractivity: 52.9139 cm^3
• Polarizability: 21.155653 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216759

MP Biomedicals Rare Chemical collection