1,1-Dimethylazepan-1-ium bromide
TL;DR: 1,1-Dimethylazepan-1-ium bromide (CAS 20422-16-6) is a chemical compound with molecular formula C8H18BrN and molecular weight 207.06226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethylazepan-1-ium bromide
Also Known As: 1,1-dimethylazepan-1-ium, 1,1-dimethylazepan-1-ium bromide, N-Dimethylhexamethyleneammonium bromide, N,N-Dimethylazacycloheptaniumbromide, 1-Methylhexamethylenimine, methobromide
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18BrN |
| Molecular Weight | 207.06226 g/mol |
| XLogP | -1.36 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.06226 Da |
| Heavy Atoms | 10 |
| Complexity | 76.0 |
| SMILES | C[N+]1(CCCCCC1)C.[Br-] |
| InChIKey | NWERLGXEXJUYGT-UHFFFAOYSA-M |
Chemical Property Profile of 1,1-Dimethylazepan-1-ium bromide
Property Insights of 1,1-Dimethylazepan-1-ium bromide
The XLogP value of -1.36 indicates that 1,1-Dimethylazepan-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dimethylazepan-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylazepan-1-ium bromide 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
What is the CAS number of 1,1-Dimethylazepan-1-ium bromide?
The CAS number of 1,1-Dimethylazepan-1-ium bromide is 20422-16-6.
What is the molecular formula of 1,1-Dimethylazepan-1-ium bromide?
The molecular formula of 1,1-Dimethylazepan-1-ium bromide is C8H18BrN.
What is the molecular weight of 1,1-Dimethylazepan-1-ium bromide?
The molecular weight of 1,1-Dimethylazepan-1-ium bromide is 207.06226 g/mol.
Where can I buy 1,1-Dimethylazepan-1-ium bromide?
You can request a quote for 1,1-Dimethylazepan-1-ium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dimethylazepan-1-ium bromide?
Yes, CoreyChem provides custom synthesis services for 1,1-Dimethylazepan-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.