(E)-N-[(2-ethoxyphenyl)methylidene]hydroxylamine

• ChemBase ID: 231900
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: c1(c(OCC)cccc1)/C=N/O
• Canonical SMILES: CCOc1ccccc1/C=N/O
• InChI: InChI=1S/C9H11NO2/c1-2-12-9-6-4-3-5-8(9)7-10-11/h3-7,11H,2H2,1H3/b10-7+
• InChIKey: WZRKOXBTHOWETA-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(2-ethoxyphenyl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(2-ethoxyphenyl)methylidene]hydroxylamine
• Synonyms: 2-Ethoxy-benzaldehyde oxime

Database IDs

• MDL Number: MFCD01043206
• PubChem SID: 164287810
• PubChem CID: 6891505

CALCULATED PROPERTIES

• Acid pKa: 7.7361555
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8915938
• LogD (pH = 7.4): 1.7305074
• Log P: 1.8943646
• Molar Refractivity: 47.6755 cm^3
• Polarizability: 17.934626 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 1.992

Product Information

• Purity: 95%