azetidin-3-ol

• ChemBase ID: 116137
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: N1CC(C1)O
• Canonical SMILES: OC1CNC1
• InChI: InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
• InChIKey: GMWFCJXSQQHBPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azetidin-3-ol
• IUPAC Traditional name: azetidin-3-ol
• Synonyms: azetidin-3-ol; azetidin-3-ol hydrochloride

Database IDs

• CAS Number: 45347-82-8; 18621-18-6
• MDL Number: MFCD02683887; MFCD03695446
• PubChem SID: 162101678
• PubChem CID: 1514290

CALCULATED PROPERTIES

• Acid pKa: 14.811825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0100617
• LogD (pH = 7.4): -2.5058627
• Log P: -0.99473834
• Molar Refractivity: 18.6869 cm^3
• Polarizability: 7.6825223 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.026
• Hydrophobicity(logP): -0.701

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: HCl