1H-Azepinium, hexahydro-1,1-dimethyl-
TL;DR: 1H-Azepinium, hexahydro-1,1-dimethyl- (CAS 54627-86-0) is a chemical compound with molecular formula C8H18N+ and molecular weight 128.14392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethylazepan-1-ium
Also Known As: 1,1-dimethylazepan-1-ium, 1H-Azepinium, hexahydro-1,1-dimethyl-, 1H-Azepinium,hexahydro-1,1-dimethyl, 1,1-Dimethylhexahydro-1H-azepine-1-ium, Hexahydro-1,1-dimethyl-1H-azepin-1-ium
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18N+ |
| Molecular Weight | 128.14392 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.14392 Da |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
| SMILES | C[N+]1(CCCCCC1)C |
| InChIKey | DTAFFHPSEGEQRY-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Azepinium, hexahydro-1,1-dimethyl-
Property Insights of 1H-Azepinium, hexahydro-1,1-dimethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepinium, hexahydro-1,1-dimethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1H-Azepinium, hexahydro-1,1-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepinium, hexahydro-1,1-dimethyl- 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 1H-Azepinium, hexahydro-1,1-dimethyl-?
The CAS number of 1H-Azepinium, hexahydro-1,1-dimethyl- is 54627-86-0.
What is the molecular formula of 1H-Azepinium, hexahydro-1,1-dimethyl-?
The molecular formula of 1H-Azepinium, hexahydro-1,1-dimethyl- is C8H18N+.
What is the molecular weight of 1H-Azepinium, hexahydro-1,1-dimethyl-?
The molecular weight of 1H-Azepinium, hexahydro-1,1-dimethyl- is 128.14392 g/mol.
Where can I buy 1H-Azepinium, hexahydro-1,1-dimethyl-?
You can request a quote for 1H-Azepinium, hexahydro-1,1-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Azepinium, hexahydro-1,1-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Azepinium, hexahydro-1,1-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.