2-[(oxetan-3-yl)amino]ethan-1-ol

• ChemBase ID: 246934
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: O1CC(NCCO)C1
• Canonical SMILES: OCCNC1COC1
• InChI: InChI=1S/C5H11NO2/c7-2-1-6-5-3-8-4-5/h5-7H,1-4H2
• InChIKey: OQCWLAMXJVEQDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(oxetan-3-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-(oxetan-3-ylamino)ethanol
• Synonyms: 2-[(oxetan-3-yl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD18849303
• PubChem SID: 164302844
• PubChem CID: 63624378

CALCULATED PROPERTIES

• Molar Refractivity: 29.7304 cm^3
• Polarizability: 12.073888 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.601471
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4420652
• LogD (pH = 7.4): -1.7112755
• Log P: -1.0417138

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.683

Product Information

• Purity: 95%