2,2-dimethylpyrrolidine hydrochloride

• ChemBase ID: 24803
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1CC(NC1)(C)C.Cl
• Canonical SMILES: CC1(C)CCCN1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6(2)4-3-5-7-6;/h7H,3-5H2,1-2H3;1H
• InChIKey: MZQJSLYOHPXTJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpyrrolidine hydrochloride
• IUPAC Traditional name: 2,2-dimethylpyrrolidine hydrochloride
• Synonyms: 2,2-Dimethylpyrrolidine hydrochloride

Database IDs

• CAS Number: 623580-01-8
• MDL Number: MFCD09759233
• PubChem SID: 160988110
• PubChem CID: 44118457

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.331263
• LogD (pH = 7.4): -2.2804663
• Log P: 0.9100707
• Molar Refractivity: 31.2914 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

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 1.414

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%