3-(2-Chlorobenzyl)pyrrolidine
TL;DR: 3-(2-Chlorobenzyl)pyrrolidine (CAS 1003561-98-5) is a chemical compound with molecular formula C11H14ClN and molecular weight 195.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-chlorophenyl)methyl]pyrrolidine
Also Known As: 3-(2-CHLOROBENZYL)PYRROLIDINE, 3-[(2-chlorophenyl)methyl]pyrrolidine, 3-[(2-Chlorophenyl)methyl]pyrrolidine HCl, 3ABX-Q06-1
Technical Specifications
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.08148 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08148 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| SMILES | C1CNCC1CC2=CC=CC=C2Cl |
| InChIKey | SVJGDVDJMBNCGU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chlorobenzyl)pyrrolidine
Property Insights of 3-(2-Chlorobenzyl)pyrrolidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorobenzyl)pyrrolidine. With a topological polar surface area (TPSA) of 12.0 Ų, 3-(2-Chlorobenzyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorobenzyl)pyrrolidine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chlorobenzyl)pyrrolidine?
The CAS number of 3-(2-Chlorobenzyl)pyrrolidine is 1003561-98-5.
What is the molecular formula of 3-(2-Chlorobenzyl)pyrrolidine?
The molecular formula of 3-(2-Chlorobenzyl)pyrrolidine is C11H14ClN.
What is the molecular weight of 3-(2-Chlorobenzyl)pyrrolidine?
The molecular weight of 3-(2-Chlorobenzyl)pyrrolidine is 195.08148 g/mol.
Where can I buy 3-(2-Chlorobenzyl)pyrrolidine?
You can request a quote for 3-(2-Chlorobenzyl)pyrrolidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chlorobenzyl)pyrrolidine?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chlorobenzyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.