3-ethoxypyrrolidine

• ChemBase ID: 309420
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1CCC(OCC)C1
• Canonical SMILES: CCOC1CNCC1
• InChI: InChI=1S/C6H13NO/c1-2-8-6-3-4-7-5-6/h6-7H,2-5H2,1H3
• InChIKey: KEBOYHJEUFJZPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyrrolidine
• IUPAC Traditional name: 3-ethoxypyrrolidine
• Synonyms: 3-ethoxypyrrolidine

Database IDs

• CAS Number: 45592-49-2
• MDL Number: MFCD08687759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1690147
• LogD (pH = 7.4): -2.788088
• Log P: 0.06515584
• Molar Refractivity: 33.0521 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2