4-(aminooxy)butanoic acid hydrochloride

• ChemBase ID: 245391
• Molecular Formular: C4H10ClNO3
• Molecular Mass: 155.5801
• Monoisotopic Mass: 155.03492087
• SMILES: C(=O)(O)CCCON.Cl
• Canonical SMILES: NOCCCC(=O)O.Cl
• InChI: InChI=1S/C4H9NO3.ClH/c5-8-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H
• InChIKey: YHRQKRFZKOHLBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminooxy)butanoic acid hydrochloride
• IUPAC Traditional name: 4-(aminooxy)butanoic acid hydrochloride
• Synonyms: 4-(aminooxy)butanoic acid hydrochloride

Database IDs

• MDL Number: MFCD23144055
• PubChem SID: 164301301
• PubChem CID: 71361272

CALCULATED PROPERTIES

• Acid pKa: 3.3817225
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8488398
• LogD (pH = 7.4): -3.4090605
• Log P: -1.476888
• Molar Refractivity: 27.87 cm^3
• Polarizability: 10.934595 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.812

Product Information

• Purity: 95%