N',2-dihydroxyethanimidamide

• ChemBase ID: 799785
• Molecular Formular: C2H6N2O2
• Molecular Mass: 90.08124
• Monoisotopic Mass: 90.04292744
• SMILES: C(C(=NO)N)O
• Canonical SMILES: OCC(=NO)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: N',2-dihydroxyethanimidamide
• IUPAC Traditional name: N',2-dihydroxyethanimidamide
• Synonyms: N',2-dihydroxyacetimidamide

CALCULATED PROPERTIES

• Acid pKa: 9.765341
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5888479
• LogD (pH = 7.4): -1.8250847
• Log P: -1.7808899
• Molar Refractivity: 20.1119 cm^3
• Polarizability: 7.660812 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%