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

• ChemBase ID: 263601
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=N\O)(\N)/CCCOC
• Canonical SMILES: COCCC/C(=N/O)/N
• InChI: InChI=1S/C5H12N2O2/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
• InChIKey: GHABASVZKLTRCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-4-methoxybutimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-4-methoxybutimidamide
• Synonyms: N'-hydroxy-4-methoxybutanimidamide

Database IDs

• MDL Number: MFCD09936200
• PubChem SID: 164319511
• PubChem CID: 24697443

CALCULATED PROPERTIES

• Acid pKa: 12.11242
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1603322
• LogD (pH = 7.4): -0.6259013
• Log P: -0.61208946
• Molar Refractivity: 34.3175 cm^3
• Polarizability: 13.233798 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): -0.0030

Product Information

• Purity: 95%