1-Methylpyrrolidine
TL;DR: 1-Methylpyrrolidine (CAS 120-94-5) is a chemical compound with molecular formula C5H11N and molecular weight 85.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyrrolidine
Also Known As: 1-METHYLPYRROLIDINE, N-Methylpyrrolidine, Pyrrolidine, 1-methyl-, Methylpyrrolidine, N-Methyltetrahydropyrrole
| Molecular Formula | C5H11N |
|---|---|
| Molecular Weight | 85.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.08915 |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
| Melting Point | -90 °C |
| Boiling Point | 80.5 °C @760 [mm Hg] |
| Density | 0.8054 @25 °C |
| Vapor Pressure | 100.0 [mmHg] |
Chemical Identifiers
| CAS Number | 120-94-5 |
|---|---|
| SMILES | CN1CCCC1 |
| InChIKey | AVFZOVWCLRSYKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylpyrrolidine (CAS 120-94-5), with molecular formula C5H11N and molecular weight 85.09 g/mol. IUPAC: 1-methylpyrrolidine.
Chemical Property Profile of 1-Methylpyrrolidine
Property Insights of 1-Methylpyrrolidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpyrrolidine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Methylpyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpyrrolidine 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-Methylpyrrolidine?
The CAS number of 1-Methylpyrrolidine is 120-94-5.
What is the molecular formula of 1-Methylpyrrolidine?
The molecular formula of 1-Methylpyrrolidine is C5H11N.
What is the molecular weight of 1-Methylpyrrolidine?
The molecular weight of 1-Methylpyrrolidine is 85.09 g/mol.
Where can I buy 1-Methylpyrrolidine?
You can request a quote for 1-Methylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.