(E)-N',2-dihydroxyethenimidamide

• ChemBase ID: 72183
• Molecular Formular: C2H6N2O2
• Molecular Mass: 90.08124
• Monoisotopic Mass: 90.04292744
• SMILES: C(=N\O)(/N)\CO
• Canonical SMILES: OC/C(=N\O)/N
• InChI: InChI=1S/C2H6N2O2/c3-2(1-5)4-6/h5-6H,1H2,(H2,3,4)
• InChIKey: WEOOQFYHYZGYRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N',2-dihydroxyethenimidamide
• IUPAC Traditional name: (E)-N',2-dihydroxyethenimidamide
• Synonyms: (1E)-N',2-Dihydroxyethanimidamide

Database IDs

• CAS Number: 73728-45-7
• MDL Number: MFCD05663020
• PubChem SID: 162037314
• PubChem CID: 5829639

CALCULATED PROPERTIES

• Acid pKa: 9.741096
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.7824657
• LogD (pH = 7.4): -1.7828859
• Log P: -1.7808899
• Molar Refractivity: 20.1119 cm^3
• Polarizability: 7.7248654 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT