1-Methylpyrrole
TL;DR: 1-Methylpyrrole (CAS 96-54-8) is a chemical compound with molecular formula C5H7N and molecular weight 81.057846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylpyrrole
Also Known As: 1-Methylpyrrole, 1-Methyl-1H-pyrrole, N-METHYLPYRROLE, N-Methyl pyrrole, Pyrrole, 1-methyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7N |
| Molecular Weight | 81.057846 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 81.057846 Da |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
| Melting Point | -57.00 °C. @ 760.00 mm Hg |
| Boiling Point | The Guide in the Emergency Response Guidebook is for "Flammable liquid, n.o.s." 112-113 °C |
| Density | 0.9145 @ 15°C |
| Flash Point | 16 °C |
| Vapor Pressure | 21.4 [mmHg] |
| SMILES | CN1C=CC=C1 |
| InChIKey | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
Product Description
Applications: 1-Methylpyrrole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-Methylpyrrole (CAS 96-54-8) is a heterocyclic building block with the molecular formula C5H7N and a molecular weight of 81.06 g/mol. Key physical properties include a density of 0.9145 @ 15°C g/cm³. Synonyms include 1-Methylpyrrole and 1-Methyl-1H-pyrrole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Methylpyrrole
Property Insights of 1-Methylpyrrole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-Methylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpyrrole has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methylpyrrole?
The CAS number of 1-Methylpyrrole is 96-54-8.
What is the molecular formula of 1-Methylpyrrole?
The molecular formula of 1-Methylpyrrole is C5H7N.
What is the molecular weight of 1-Methylpyrrole?
The molecular weight of 1-Methylpyrrole is 81.057846 g/mol.
What are the applications of 1-Methylpyrrole?
1-Methylpyrrole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1-Methylpyrrole?
You can request a quote for 1-Methylpyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylpyrrole?
Yes, CoreyChem provides custom synthesis services for 1-Methylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.