N'-hydroxyethanimidamide

• ChemBase ID: 799783
• Molecular Formular: C2H6N2O
• Molecular Mass: 74.08184
• Monoisotopic Mass: 74.04801282
• SMILES: CC(=NO)N
• Canonical SMILES: CC(=NO)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: N'-hydroxyethanimidamide
• IUPAC Traditional name: N'-hydroxyethanimidamide
• Synonyms: N'-hydroxyacetimidamide

Database IDs

• CAS Number: 22059-22-9

CALCULATED PROPERTIES

• Acid pKa: 12.551043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.923789
• LogD (pH = 7.4): -1.4000638
• Log P: -0.9636419
• Molar Refractivity: 18.4097 cm^3
• Polarizability: 6.9522243 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%