3-[2-(2-methoxyethoxy)ethyl]pyrrolidine

• ChemBase ID: 50165
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: N1CC(CCOCCOC)CC1
• Canonical SMILES: COCCOCCC1CNCC1
• InChI: InChI=1S/C9H19NO2/c1-11-6-7-12-5-3-9-2-4-10-8-9/h9-10H,2-8H2,1H3
• InChIKey: GXWQLMDRJDEBGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
• IUPAC Traditional name: 3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
• Synonyms: 3-[2-(2-Methoxyethoxy)ethyl]pyrrolidine

Database IDs

• MDL Number: MFCD13562884
• PubChem SID: 162054928
• PubChem CID: 53409493

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0591934
• LogD (pH = 7.4): -2.9941783
• Log P: 0.18193287
• Molar Refractivity: 49.0304 cm^3
• Polarizability: 19.48863 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