4-aminooxolan-3-ol

• ChemBase ID: 274271
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C1(C(O)COC1)N
• Canonical SMILES: OC1COCC1N
• InChI: InChI=1S/C4H9NO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2
• InChIKey: HQVKXDYSIGDGSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11870199
• PubChem SID: 164330181
• PubChem CID: 10486809

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%