(Z)-N'-hydroxyethenimidamide

• ChemBase ID: 37880
• Molecular Formular: C2H6N2O
• Molecular Mass: 74.08184
• Monoisotopic Mass: 74.04801282
• SMILES: C/C(=N/O)/N
• Canonical SMILES: C/C(=N/O)/N
• InChI: InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)
• InChIKey: AEXITZJSLGALNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxyethenimidamide; N'-hydroxyethanimidamide
• IUPAC Traditional name: (Z)-N'-hydroxyethenimidamide; acetamide, oxime
• Synonyms: (1Z)-N'-Hydroxyethanimidamide; N'-Hydroxyacetamidine; Acetamidoxime; N'-Hydroxyacetimidamide; (Z)-N'-hydroxyacetimidamide

Database IDs

• CAS Number: 22059-22-9
• MDL Number: MFCD00603514
• PubChem SID: 161001187
• PubChem CID: 5487681

CALCULATED PROPERTIES

• Acid pKa: 12.550309
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6102966
• LogD (pH = 7.4): -0.9822668
• Log P: -0.9636419
• Molar Refractivity: 18.4097 cm^3
• Polarizability: 7.0190883 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.197

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%