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

• ChemBase ID: 50178
• Molecular Formular: C10H21NO2
• Molecular Mass: 187.27924
• Monoisotopic Mass: 187.15722892
• SMILES: N1CC(CCOCCOCC)CC1
• Canonical SMILES: CCOCCOCCC1CCNC1
• InChI: InChI=1S/C10H21NO2/c1-2-12-7-8-13-6-4-10-3-5-11-9-10/h10-11H,2-9H2,1H3
• InChIKey: BCEUANORCVUCSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2-ethoxyethoxy)ethyl]pyrrolidine
• IUPAC Traditional name: 3-[2-(2-ethoxyethoxy)ethyl]pyrrolidine
• Synonyms: 3-[2-(2-Ethoxyethoxy)ethyl]pyrrolidine

Database IDs

• CAS Number: 1219977-22-6
• MDL Number: MFCD13562896
• PubChem SID: 162054941
• PubChem CID: 53409487

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7023854
• LogD (pH = 7.4): -2.6373703
• Log P: 0.5387408
• Molar Refractivity: 53.779 cm^3
• Polarizability: 21.329054 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false