azetidin-2-ylmethanol

• ChemBase ID: 289206
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: OCC1CCN1
• Canonical SMILES: OCC1CCN1
• InChI: InChI=1S/C4H9NO/c6-3-4-1-2-5-4/h4-6H,1-3H2
• InChIKey: FTWWNKCHSPDIQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azetidin-2-ylmethanol
• IUPAC Traditional name: azetidin-2-ylmethanol
• Synonyms: Azetidin-2-ylmethanol

Database IDs

• CAS Number: 104587-62-4
• PubChem SID: 180674737
• PubChem CID: 15251628

CALCULATED PROPERTIES

• Acid pKa: 15.118375
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.1590486
• LogD (pH = 7.4): -3.5425375
• Log P: -0.93477863
• Molar Refractivity: 23.5523 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%