Azepane
TL;DR: Azepane (CAS 111-49-9) is a chemical compound with molecular formula C6H13N and molecular weight 99.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azepane
Also Known As: Hexamethyleneimine, Azepane, Hexahydroazepine, Perhydroazepine, Homopiperidine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13N |
| Molecular Weight | 99.1048 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.1048 Da |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
| Melting Point | -37 °C |
| Boiling Point | 270 °F at 760 mmHg (USCG, 1999) |
| Density | 0.88 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 99 °F (USCG, 1999) |
| Vapor Pressure | 217.14 mmHg (USCG, 1999) |
| Solubility | Very soluble in ethanol and ethyl ether |
| SMILES | C1CCCNCC1 |
| InChIKey | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
Product Description
Applications: Azepane 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. CoreyChem supplies Azepane (CAS 111-49-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Azepane (CAS 111-49-9) has the molecular formula C6H13N and a molecular weight of 99.1 g/mol. Reported properties include a density of 0.88 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very soluble in ethanol and ethyl ether. It is also known as Hexamethyleneimine and Azepane.
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 Azepane
Property Insights of Azepane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepane. With a topological polar surface area (TPSA) of 12.0 Ų, Azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepane 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 Azepane?
The CAS number of Azepane is 111-49-9.
What is the molecular formula of Azepane?
The molecular formula of Azepane is C6H13N.
What is the molecular weight of Azepane?
The molecular weight of Azepane is 99.1048 g/mol.
What are the applications of Azepane?
Azepane 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. CoreyChem supplies Azepane (CAS 111-49-9) with custom synthesis...
Where can I buy Azepane?
You can request a quote for Azepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Azepane?
Yes, CoreyChem provides custom synthesis services for Azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.