2-ethylpyrrolidine hydrochloride

• ChemBase ID: 55516
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1CCNC1CC.Cl
• Canonical SMILES: CCC1CCCN1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-2-6-4-3-5-7-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: LKNCADZJRBHOFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpyrrolidine hydrochloride
• IUPAC Traditional name: 2-ethylpyrrolidine hydrochloride
• Synonyms: 2-Ethylpyrrolidine hydrochloride

Database IDs

• CAS Number: 1003-28-7
• MDL Number: MFCD11841134
• PubChem SID: 162060279
• PubChem CID: 21085636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0893373
• LogD (pH = 7.4): -2.039935
• Log P: 1.1520164
• Molar Refractivity: 31.1772 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%