(Z)-N'-hydroxy-4-phenylbutimidamide

• ChemBase ID: 265909
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=N\O)(\N)/CCCc1ccccc1
• Canonical SMILES: O/N=C(/CCCc1ccccc1)\N
• InChI: InChI=1S/C10H14N2O/c11-10(12-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,11,12)
• InChIKey: FWWXQZGRILOAFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-4-phenylbutimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-4-phenylbutimidamide
• Synonyms: N'-hydroxy-4-phenylbutanimidamide

Database IDs

• MDL Number: MFCD09808080
• PubChem SID: 164321819
• PubChem CID: 15453905

CALCULATED PROPERTIES

• Acid pKa: 12.307272
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1808567
• LogD (pH = 7.4): 1.7446343
• Log P: 1.7598352
• Molar Refractivity: 52.3336 cm^3
• Polarizability: 20.171879 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.065

Product Information

• Purity: 95%