N,2-dihydroxypropanimidamide

• ChemBase ID: 309496
• Molecular Formular: C3H8N2O2
• Molecular Mass: 104.10782
• Monoisotopic Mass: 104.05857751
• SMILES: C(=N)(NO)C(O)C
• Canonical SMILES: ONC(=N)C(O)C
• InChI: InChI=1S/C3H8N2O2/c1-2(6)3(4)5-7/h2,6-7H,1H3,(H2,4,5)
• InChIKey: TWQGERCRJDBWSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 52046-55-6
• MDL Number: MFCD07776328

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.4794959
• LogD (pH = 7.4): -1.1535559
• Log P: -1.1472924
• Molar Refractivity: 45.5135 cm^3
• Polarizability: 9.462864 Å^3
• Polar Surface Area: 76.34 Å^2