(Z)-N'-hydroxy-2-(oxolan-2-yl)ethenimidamide

• ChemBase ID: 265077
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C(=N\O)(/CC1OCCC1)\N
• Canonical SMILES: O/N=C(/CC1CCCO1)\N
• InChI: InChI=1S/C6H12N2O2/c7-6(8-9)4-5-2-1-3-10-5/h5,9H,1-4H2,(H2,7,8)
• InChIKey: ZLCWIWCZARKAMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(oxolan-2-yl)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(oxolan-2-yl)ethenimidamide
• Synonyms: N'-hydroxy-2-(oxolan-2-yl)ethanimidamide

Database IDs

• MDL Number: MFCD09811773
• PubChem SID: 164320987
• PubChem CID: 20119951

CALCULATED PROPERTIES

• Acid pKa: 11.486252
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6536849
• LogD (pH = 7.4): -0.4388323
• Log P: -0.43518615
• Molar Refractivity: 36.7737 cm^3
• Polarizability: 14.350051 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.11

Product Information

• Purity: 95%