3-(2-methoxyethoxy)azetidine

• ChemBase ID: 45964
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: N1CC(C1)OCCOC
• Canonical SMILES: COCCOC1CNC1
• InChI: InChI=1S/C6H13NO2/c1-8-2-3-9-6-4-7-5-6/h6-7H,2-5H2,1H3
• InChIKey: XYMSYHUPGZTEDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethoxy)azetidine
• IUPAC Traditional name: 3-(2-methoxyethoxy)azetidine
• Synonyms: 3-(2-Methoxyethoxy)azetidine

Database IDs

• MDL Number: MFCD13559915
• PubChem SID: 162050727
• PubChem CID: 17817374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3538208
• LogD (pH = 7.4): -1.7814158
• Log P: -0.39858738
• Molar Refractivity: 34.4816 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false