N-hydroxy2-aminoethanimidic acid

• ChemBase ID: 243375
• Molecular Formular: C2H6N2O2
• Molecular Mass: 90.08124
• Monoisotopic Mass: 90.04292744
• SMILES: C(=N\O)(\O)/CN
• Canonical SMILES: NC/C(=N/O)/O
• InChI: InChI=1S/C2H6N2O2/c3-1-2(5)4-6/h6H,1,3H2,(H,4,5)
• InChIKey: VDBCTDQYMZSQFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy2-aminoethanimidic acid
• IUPAC Traditional name: N-hydroxy2-aminoethanimidic acid
• Synonyms: N-hydroxy2-aminoethanimidic acid

Database IDs

• MDL Number: MFCD00057755
• PubChem SID: 164299285
• PubChem CID: 94811

CALCULATED PROPERTIES

• Acid pKa: 4.7577357
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.387639
• LogD (pH = 7.4): -3.3353162
• Log P: -3.3317387
• Molar Refractivity: 20.1119 cm^3
• Polarizability: 8.139474 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -1.82

Product Information

• Purity: 95%