3-(aminooxy)propanoic acid hydrochloride

• ChemBase ID: 244515
• Molecular Formular: C3H8ClNO3
• Molecular Mass: 141.55352
• Monoisotopic Mass: 141.0192708
• SMILES: C(=O)(CCON)O.Cl
• Canonical SMILES: NOCCC(=O)O.Cl
• InChI: InChI=1S/C3H7NO3.ClH/c4-7-2-1-3(5)6;/h1-2,4H2,(H,5,6);1H
• InChIKey: XRRWTXUSRDXCLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminooxy)propanoic acid hydrochloride
• IUPAC Traditional name: 3-(aminooxy)propanoic acid hydrochloride
• Synonyms: 3-(aminooxy)propanoic acid hydrochloride

Database IDs

• MDL Number: MFCD00154400
• PubChem SID: 164300425
• PubChem CID: 12604317

CALCULATED PROPERTIES

• Acid pKa: 3.8161302
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.225484
• LogD (pH = 7.4): -3.8275983
• Log P: -1.5099695
• Molar Refractivity: 23.115 cm^3
• Polarizability: 9.128787 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -1.161

Product Information

• Purity: 95%