N',3-dihydroxypropanimidamide

• ChemBase ID: 799784
• Molecular Formular: C3H8N2O2
• Molecular Mass: 104.10782
• Monoisotopic Mass: 104.05857751
• SMILES: C(=NO)(CCO)N
• Canonical SMILES: OCCC(=NO)N
• InChI: InChI=1S/C3H8N2O2/c4-3(5-7)1-2-6/h6-7H,1-2H2,(H2,4,5)
• InChIKey: GBWDQWAJGWNKHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N',3-dihydroxypropanimidamide
• IUPAC Traditional name: N',3-dihydroxypropanimidamide
• Synonyms: N',3-dihydroxypropanimidamide

CALCULATED PROPERTIES

• Acid pKa: 11.50125
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.0014951
• LogD (pH = 7.4): -1.6879098
• Log P: -1.5438772
• Molar Refractivity: 24.8113 cm^3
• Polarizability: 9.462864 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%