(Z)-N'-hydroxy-4-(phenoxymethyl)benzene-1-carboximidamide

• ChemBase ID: 264604
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=N\O)(/c1ccc(COc2ccccc2)cc1)\N
• Canonical SMILES: O/N=C(/c1ccc(cc1)COc1ccccc1)\N
• InChI: InChI=1S/C14H14N2O2/c15-14(16-17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H2,15,16)
• InChIKey: FSVJLTFSROLFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-4-(phenoxymethyl)benzene-1-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-4-(phenoxymethyl)benzene-1-carboximidamide
• Synonyms: N'-hydroxy-4-(phenoxymethyl)benzene-1-carboximidamide

Database IDs

• MDL Number: MFCD09934830
• PubChem SID: 164320514
• PubChem CID: 24696197

CALCULATED PROPERTIES

• Acid pKa: 9.480259
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.337811
• LogD (pH = 7.4): 2.4513597
• Log P: 2.4573345
• Molar Refractivity: 70.156 cm^3
• Polarizability: 26.815441 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 2.711

Product Information

• Purity: 95%