2-(ethoxymethyl)azetidine

• ChemBase ID: 50398
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1CCC1COCC
• Canonical SMILES: CCOCC1CCN1
• InChI: InChI=1S/C6H13NO/c1-2-8-5-6-3-4-7-6/h6-7H,2-5H2,1H3
• InChIKey: JNFCXQXACPCQJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethoxymethyl)azetidine
• IUPAC Traditional name: 2-(ethoxymethyl)azetidine
• Synonyms: 2-(Ethoxymethyl)azetidine

Database IDs

• MDL Number: MFCD13562978
• PubChem SID: 162055161
• PubChem CID: 53408795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1537142
• LogD (pH = 7.4): -2.449435
• Log P: 0.06515584
• Molar Refractivity: 33.0521 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false