2-methylpyrrolidine hydrochloride

• ChemBase ID: 284888
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: N1C(C)CCC1.Cl
• Canonical SMILES: CC1CCCN1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-5-3-2-4-6-5;/h5-6H,2-4H2,1H3;1H
• InChIKey: JNEIFWYJFOEKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrrolidine hydrochloride
• IUPAC Traditional name: 2-methylpyrrolidine hydrochloride
• Synonyms: 2-methylpyrrolidine hydrochloride

Database IDs

• CAS Number: 174500-74-4
• MDL Number: MFCD08274961
• PubChem SID: 180670419
• PubChem CID: 21907341

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.611706
• LogD (pH = 7.4): -2.5516837
• Log P: 0.629494
• Molar Refractivity: 26.6532 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.895

Product Information

• Purity: 95%; 98%