N-hydroxy2-aminohexanimidic acid

• ChemBase ID: 239421
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: C(=N\O)(/C(N)CCCC)\O
• Canonical SMILES: CCCCC(/C(=N/O)/O)N
• InChI: InChI=1S/C6H14N2O2/c1-2-3-4-5(7)6(9)8-10/h5,10H,2-4,7H2,1H3,(H,8,9)
• InChIKey: NCFFBULFDXALJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00057762
• PubChem SID: 164295331
• PubChem CID: 4156340

CALCULATED PROPERTIES

• Acid pKa: 4.979396
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4561006
• LogD (pH = 7.4): -1.366191
• Log P: -1.3657321
• Molar Refractivity: 38.3318 cm^3
• Polarizability: 15.437002 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.076

Product Information

• Purity: 95%