2-(aminooxy)acetamide hydrochloride

• ChemBase ID: 246587
• Molecular Formular: C2H7ClN2O2
• Molecular Mass: 126.54218
• Monoisotopic Mass: 126.01960515
• SMILES: C(=O)(CON)N.Cl
• Canonical SMILES: NOCC(=O)N.Cl
• InChI: InChI=1S/C2H6N2O2.ClH/c3-2(5)1-6-4;/h1,4H2,(H2,3,5);1H
• InChIKey: BIUQVFWWPLIJJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminooxy)acetamide hydrochloride
• IUPAC Traditional name: 2-(aminooxy)acetamide hydrochloride
• Synonyms: 2-(aminooxy)acetamide hydrochloride

Database IDs

• PubChem SID: 164302497
• PubChem CID: 21118417

CALCULATED PROPERTIES

• Acid pKa: 15.601613
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6955231
• LogD (pH = 7.4): -1.691546
• Log P: -1.691495
• Molar Refractivity: 20.2378 cm^3
• Polarizability: 7.949524 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): -2.136

Product Information

• Purity: 95%