2-(3,4-dichlorophenyl)pyrrolidine

• ChemBase ID: 260211
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: c1(cc(c(cc1)Cl)Cl)C1NCCC1
• Canonical SMILES: Clc1ccc(cc1Cl)C1CCCN1
• InChI: InChI=1S/C10H11Cl2N/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
• InChIKey: LTITXVXGJJQFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)pyrrolidine
• Synonyms: 2-(3,4-dichlorophenyl)pyrrolidine

Database IDs

• CAS Number: 298690-82-1
• MDL Number: MFCD02663509
• PubChem SID: 164316121
• PubChem CID: 3446731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.026612785
• LogD (pH = 7.4): 0.42235044
• Log P: 3.2052486
• Molar Refractivity: 56.1268 cm^3
• Polarizability: 22.251257 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.24

Product Information

• Purity: 95%