3-[(2-methoxyethoxy)methyl]azetidine

• ChemBase ID: 50394
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1CC(C1)COCCOC
• Canonical SMILES: COCCOCC1CNC1
• InChI: InChI=1S/C7H15NO2/c1-9-2-3-10-6-7-4-8-5-7/h7-8H,2-6H2,1H3
• InChIKey: HSEBCMVAABKLTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562974
• PubChem SID: 162055157
• PubChem CID: 53409406

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6354985
• LogD (pH = 7.4): -3.161946
• Log P: -0.40456858
• Molar Refractivity: 39.3688 cm^3
• Polarizability: 15.811754 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false