(Z)-2-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide

• ChemBase ID: 264825
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: c1(/C(=N/O)/N)c(OCc2ccccc2)cccc1
• Canonical SMILES: O/N=C(/c1ccccc1OCc1ccccc1)\N
• InChI: InChI=1S/C14H14N2O2/c15-14(16-17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H2,15,16)
• InChIKey: INLHIGZJNLMVDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-2-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide
• IUPAC Traditional name: (Z)-2-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide
• Synonyms: 2-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide

Database IDs

• MDL Number: MFCD09261302
• PubChem SID: 164320735
• PubChem CID: 24708121

CALCULATED PROPERTIES

• Acid pKa: 9.011113
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.44787
• LogD (pH = 7.4): 2.4466305
• Log P: 2.4573345
• Molar Refractivity: 70.156 cm^3
• Polarizability: 26.817825 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 2.711

Product Information

• Purity: 95%