(E)-N',2-dihydroxy-3-methylbutimidamide

• ChemBase ID: 309981
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=N\O)(\C(C(C)C)O)/N
• Canonical SMILES: OC(/C(=N\O)/N)C(C)C
• InChI: InChI=1S/C5H12N2O2/c1-3(2)4(8)5(6)7-9/h3-4,8-9H,1-2H3,(H2,6,7)
• InChIKey: JRSZQLQXQAIFFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N',2-dihydroxy-3-methylbutimidamide
• IUPAC Traditional name: (E)-N',2-dihydroxy-3-methylbutimidamide
• Synonyms: (1E)-N',2-dihydroxy-3-methylbutanimidamide

Database IDs

• MDL Number: MFCD22422038

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.37058103
• LogD (pH = 7.4): -0.32729524
• Log P: -0.32463047
• Molar Refractivity: 33.6014 cm^3
• Polarizability: 13.165291 Å^3
• Polar Surface Area: 78.84 Å^2