2-(chloromethyl)-1-ethylpyrrolidine

• ChemBase ID: 309723
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1(C(CCl)CCC1)CC
• Canonical SMILES: ClCC1CCCN1CC
• InChI: InChI=1S/C7H14ClN/c1-2-9-5-3-4-7(9)6-8/h7H,2-6H2,1H3
• InChIKey: QAUREVYTVNKTJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18347635

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4414897
• LogD (pH = 7.4): 0.21536379
• Log P: 1.6770318
• Molar Refractivity: 41.2912 cm^3
• Polarizability: 16.235746 Å^3
• Polar Surface Area: 3.24 Å^2