3-ethylpyrrolidine hydrochloride

• ChemBase ID: 236881
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N1CC(CC)CC1.Cl
• Canonical SMILES: CCC1CNCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-2-6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: YGRGUQNCCWBFNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpyrrolidine hydrochloride
• IUPAC Traditional name: 3-ethylpyrrolidine hydrochloride
• Synonyms: 3-ethylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22369866
• PubChem SID: 164292791
• PubChem CID: 71755796

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.218674
• LogD (pH = 7.4): -2.1542075
• Log P: 1.0224605
• Molar Refractivity: 31.307 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%