1,3-Dimethylpyrrolidine
TL;DR: 1,3-Dimethylpyrrolidine (CAS 45470-22-2) is a chemical compound with molecular formula C6H13N and molecular weight 99.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylpyrrolidine
Also Known As: 1,3-dimethylpyrrolidine, N-methyl-3-methylpyrrolidine, Pyrrolidine, 1,3-dimethyl, J1.106.793J
| Molecular Formula | C6H13N |
|---|---|
| Molecular Weight | 99.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.1048 |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 45470-22-2 |
|---|---|
| SMILES | CC1CCN(C1)C |
| InChIKey | IGNGFGXAWDQJGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylpyrrolidine (CAS 45470-22-2), with molecular formula C6H13N and molecular weight 99.10 g/mol. IUPAC: 1,3-dimethylpyrrolidine.
Chemical Property Profile of 1,3-Dimethylpyrrolidine
Property Insights of 1,3-Dimethylpyrrolidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylpyrrolidine. With a topological polar surface area (TPSA) of 3.2 Ų, 1,3-Dimethylpyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylpyrrolidine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dimethylpyrrolidine?
The CAS number of 1,3-Dimethylpyrrolidine is 45470-22-2.
What is the molecular formula of 1,3-Dimethylpyrrolidine?
The molecular formula of 1,3-Dimethylpyrrolidine is C6H13N.
What is the molecular weight of 1,3-Dimethylpyrrolidine?
The molecular weight of 1,3-Dimethylpyrrolidine is 99.10 g/mol.
Where can I buy 1,3-Dimethylpyrrolidine?
You can request a quote for 1,3-Dimethylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.