N-hydroxy-2-(oxan-2-yloxy)ethanimidamide

• ChemBase ID: 806499
• Molecular Formular: C7H14N2O3
• Molecular Mass: 174.19766
• Monoisotopic Mass: 174.10044232
• SMILES: C(C(=N)NO)OC1OCCCC1
• Canonical SMILES: ONC(=N)COC1CCCCO1
• InChI: InChI=1S/C7H14N2O3/c8-6(9-10)5-12-7-3-1-2-4-11-7/h7,10H,1-5H2,(H2,8,9)
• InChIKey: DRKFVKJRLAXTKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-(oxan-2-yloxy)ethanimidamide
• IUPAC Traditional name: N-hydroxy-2-(oxan-2-yloxy)ethanimidamide
• Synonyms: N-HYDROXY-2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ACETIMIDAMIDE

Database IDs

• CAS Number: 131041-99-1

CALCULATED PROPERTIES

• Acid pKa: 14.903891
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.42047846
• LogD (pH = 7.4): -0.17656796
• Log P: -0.17236286
• Molar Refractivity: 63.8043 cm^3
• Polarizability: 16.85149 Å^3
• Polar Surface Area: 74.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%