(E)-N-[(4-ethylphenyl)methylidene]hydroxylamine

• ChemBase ID: 250934
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: N(=C\c1ccc(cc1)CC)/O
• Canonical SMILES: CCc1ccc(cc1)/C=N/O
• InChI: InChI=1S/C9H11NO/c1-2-8-3-5-9(6-4-8)7-10-11/h3-7,11H,2H2,1H3/b10-7+
• InChIKey: DCBIVYBFOCPTQI-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(4-ethylphenyl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(4-ethylphenyl)methylidene]hydroxylamine
• Synonyms: 4-ethylbenzaldehyde oxime

Database IDs

• CAS Number: 61946-88-1
• MDL Number: MFCD01235929
• PubChem SID: 164306844
• PubChem CID: 6904166

CALCULATED PROPERTIES

• Acid pKa: 9.127078
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.651245
• LogD (pH = 7.4): 2.645121
• Log P: 2.653218
• Molar Refractivity: 46.1059 cm^3
• Polarizability: 17.184303 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.793

Product Information

• Purity: 95%