3-[(2-ethoxyethoxy)methyl]azetidine

• ChemBase ID: 50395
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1CC(C1)COCCOCC
• Canonical SMILES: CCOCCOCC1CNC1
• InChI: InChI=1S/C8H17NO2/c1-2-10-3-4-11-7-8-5-9-6-8/h8-9H,2-7H2,1H3
• InChIKey: ASHAFLACIWEYLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-ethoxyethoxy)methyl]azetidine
• IUPAC Traditional name: 3-[(2-ethoxyethoxy)methyl]azetidine
• Synonyms: 3-[(2-Ethoxyethoxy)methyl]azetidine

Database IDs

• MDL Number: MFCD13562975
• PubChem SID: 162055158
• PubChem CID: 53409394

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2786906
• LogD (pH = 7.4): -2.805138
• Log P: -0.047760632
• Molar Refractivity: 44.1174 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false