(E)-N-(1,2-diphenylethylidene)(15N)hydroxylamine

• ChemBase ID: 165867
• Molecular Formular: C14H13NO
• Molecular Mass: 212.2525289
• Monoisotopic Mass: 212.09674893
• SMILES: c1(C/C(=[15N]\O)/c2ccccc2)ccccc1
• Canonical SMILES: O/[15N]=C(/c1ccccc1)\Cc1ccccc1
• InChI: InChI=1S/C14H13NO/c16-15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2/b15-14+/i15+1
• InChIKey: PWCUVRROUAKTLL-VMUHYYQNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-(1,2-diphenylethylidene)(^1^5N)hydroxylamine
• IUPAC Traditional name: (E)-N-(1,2-diphenylethylidene)(^1^5N)hydroxylamine
• Synonyms: (1E)-1,2-Diphenylethanone Oxime-15N; (E)-2-Phenylacetophenone Oxime-15N; Deoxybenzoin Oxime-15N

Database IDs

• PubChem SID: 162260000
• PubChem CID: 46780608

CALCULATED PROPERTIES

• Acid pKa: 8.319861
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.37335
• LogD (pH = 7.4): 3.3256023
• Log P: 3.374713
• Molar Refractivity: 65.0044 cm^3
• Polarizability: 25.044655 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Tetrahydrofuran