1-(3-chloropropyl)pyrrolidine

• ChemBase ID: 263762
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1(CCCCl)CCCC1
• Canonical SMILES: ClCCCN1CCCC1
• InChI: InChI=1S/C7H14ClN/c8-4-3-7-9-5-1-2-6-9/h1-7H2
• InChIKey: SPRTXTPFQKHSBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chloropropyl)pyrrolidine
• IUPAC Traditional name: 1-(3-chloropropyl)pyrrolidine
• Synonyms: 1-(3-chloropropyl)pyrrolidine

Database IDs

• MDL Number: MFCD07787234
• PubChem SID: 164319672
• PubChem CID: 11321028

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.0180855
• LogD (pH = 7.4): -0.6157533
• Log P: 1.3204166
• Molar Refractivity: 41.7378 cm^3
• Polarizability: 16.235283 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.743

Product Information

• Purity: 95%