3-(chloromethyl)-1-methylpyrrolidine

• ChemBase ID: 307607
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: N1(CC(CC1)CCl)C
• Canonical SMILES: ClCC1CCN(C1)C
• InChI: InChI=1S/C6H12ClN/c1-8-3-2-6(4-7)5-8/h6H,2-5H2,1H3
• InChIKey: JHHRQVTUROCUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromethyl)-1-methylpyrrolidine
• IUPAC Traditional name: 3-(chloromethyl)-1-methylpyrrolidine
• Synonyms: 3-(chloromethyl)-1-methylpyrrolidine

Database IDs

• CAS Number: 58689-43-3
• MDL Number: MFCD07800306

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.3055427
• LogD (pH = 7.4): -0.73690957
• Log P: 0.92040974
• Molar Refractivity: 36.8816 cm^3
• Polarizability: 14.396331 Å^3
• Polar Surface Area: 3.24 Å^2