(Z)-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]ethenimidamide

• ChemBase ID: 263415
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=N\O)(\N)/COCc1cc(OC)ccc1
• Canonical SMILES: O/N=C(/COCc1cccc(c1)OC)\N
• InChI: InChI=1S/C10H14N2O3/c1-14-9-4-2-3-8(5-9)6-15-7-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
• InChIKey: KTRGCPZXQDUGMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]ethenimidamide
• Synonyms: N'-hydroxy-2-[(3-methoxyphenyl)methoxy]ethanimidamide

Database IDs

• MDL Number: MFCD09948021
• PubChem SID: 164319325
• PubChem CID: 24708409

CALCULATED PROPERTIES

• Acid pKa: 9.340804
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.38105133
• LogD (pH = 7.4): 0.42226315
• Log P: 0.42903844
• Molar Refractivity: 55.9389 cm^3
• Polarizability: 21.635649 Å^3
• Polar Surface Area: 77.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 0.945

Product Information

• Purity: 95%