1-(3,3-diethoxypropyl)pyrrolidine

• ChemBase ID: 244714
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: N1(CCC(OCC)OCC)CCCC1
• Canonical SMILES: CCOC(OCC)CCN1CCCC1
• InChI: InChI=1S/C11H23NO2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h11H,3-10H2,1-2H3
• InChIKey: AUAATUPVYCPDKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,3-diethoxypropyl)pyrrolidine
• IUPAC Traditional name: 1-(3,3-diethoxypropyl)pyrrolidine
• Synonyms: 1-(3,3-diethoxypropyl)pyrrolidine

Database IDs

• MDL Number: MFCD00969490
• PubChem SID: 164300624
• PubChem CID: 3783360

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5684983
• LogD (pH = 7.4): -0.26896852
• Log P: 1.811813
• Molar Refractivity: 58.3027 cm^3
• Polarizability: 23.170424 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.061

Product Information

• Purity: 95%