3,4-dimethylpyrrolidine hydrochloride

• ChemBase ID: 284808
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N1CC(C(C1)C)C.Cl
• Canonical SMILES: CC1CNCC1C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5-3-7-4-6(5)2;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: NENQMVAHTAYJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethylpyrrolidine hydrochloride
• IUPAC Traditional name: 3,4-dimethylpyrrolidine hydrochloride
• Synonyms: 3,4-dimethylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD20731157
• PubChem SID: 180670339
• PubChem CID: 23091077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2985017
• LogD (pH = 7.4): -2.2499719
• Log P: 0.94286466
• Molar Refractivity: 31.1776 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.414

Product Information

• Purity: 95%