(E)-N'-hydroxyethenimidamide

• ChemBase ID: 252864
• Molecular Formular: C2H6N2O
• Molecular Mass: 74.08184
• Monoisotopic Mass: 74.04801282
• SMILES: C(=N\O)(/N)\C
• 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: (E)-N'-hydroxyethenimidamide
• IUPAC Traditional name: (E)-N'-hydroxyethenimidamide
• Synonyms: N'-hydroxyethanimidamide

Database IDs

• CAS Number: 22059-22-9
• MDL Number: MFCD00506021
• PubChem SID: 164308774
• PubChem CID: 5360664

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

• Melting Point: 118 - 120°C
• Hydrophobicity(logP): -0.411

Product Information

• Purity: 95%