3-ethoxyazetidine

• ChemBase ID: 45975
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N1CC(C1)OCC
• Canonical SMILES: CCOC1CNC1
• InChI: InChI=1S/C5H11NO/c1-2-7-5-3-6-4-5/h5-6H,2-4H2,1H3
• InChIKey: MIGAFYXADJBZDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyazetidine
• IUPAC Traditional name: 3-ethoxyazetidine
• Synonyms: 3-Azetidinyl ethyl ether

Database IDs

• CAS Number: 88536-21-4
• MDL Number: MFCD09701259
• PubChem SID: 162050738
• PubChem CID: 22507733

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.950129
• LogD (pH = 7.4): -1.3778121
• Log P: 0.0051961015
• Molar Refractivity: 28.1867 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 21.26 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false