(E)-N-{[4-(morpholin-4-yl)phenyl]methylidene}hydroxylamine

• ChemBase ID: 232168
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: N1(c2ccc(/C=N/O)cc2)CCOCC1
• Canonical SMILES: O/N=C/c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C11H14N2O2/c14-12-9-10-1-3-11(4-2-10)13-5-7-15-8-6-13/h1-4,9,14H,5-8H2/b12-9+
• InChIKey: COWCZKTVODJKQZ-FMIVXFBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-{[4-(morpholin-4-yl)phenyl]methylidene}hydroxylamine
• IUPAC Traditional name: (E)-N-{[4-(morpholin-4-yl)phenyl]methylidene}hydroxylamine
• Synonyms: 4-Morpholin-4-yl-benzaldehyde oxime

Database IDs

• MDL Number: MFCD03217066
• PubChem SID: 164288078
• PubChem CID: 6898269

CALCULATED PROPERTIES

• Acid pKa: 9.436418
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5834366
• LogD (pH = 7.4): 1.5807825
• Log P: 1.5847714
• Molar Refractivity: 59.9668 cm^3
• Polarizability: 22.046635 Å^3
• Polar Surface Area: 45.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 1.585

Product Information

• Purity: 95%