2-(chloromethyl)-1-methylpyrrolidine

• ChemBase ID: 309468
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: N1(C(CCl)CCC1)C
• Canonical SMILES: ClCC1CCCN1C
• InChI: InChI=1S/C6H12ClN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3
• InChIKey: ZXEQVHDPCGPJSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-1-methylpyrrolidine
• IUPAC Traditional name: 2-(chloromethyl)-1-methylpyrrolidine
• Synonyms: 2-(chloromethyl)-1-methylpyrrolidine

Database IDs

• CAS Number: 58055-93-9
• MDL Number: MFCD18347654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.6146054
• LogD (pH = 7.4): 0.122181796
• Log P: 1.3202238
• Molar Refractivity: 36.5426 cm^3
• Polarizability: 14.396708 Å^3
• Polar Surface Area: 3.24 Å^2