4-aminooxolan-3-ol hydrochloride

• ChemBase ID: 274263
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: C1(C(O)COC1)N.Cl
• Canonical SMILES: OC1COCC1N.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H
• InChIKey: XFDDJSOAVIFVIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminooxolan-3-ol hydrochloride
• IUPAC Traditional name: 4-aminooxolan-3-ol hydrochloride
• Synonyms: 4-aminooxolan-3-ol hydrochloride

Database IDs

• MDL Number: MFCD18785633
• PubChem SID: 164330173
• PubChem CID: 22476525

CALCULATED PROPERTIES

• Acid pKa: 13.759015
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.345399
• LogD (pH = 7.4): -3.1114664
• Log P: -1.4145272
• Molar Refractivity: 24.626 cm^3
• Polarizability: 10.246324 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.185

Product Information

• Purity: 95%