1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)
TL;DR: 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) (CAS 16436-29-6) is a chemical compound with molecular formula C31H57NO2 and molecular weight 475.43893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrahexylazanium benzoate
Also Known As: Tetrahexylammonium benzoate, THAB, tetrahexylazanium;benzoate, Ammonium, benzoate, tetrahexylazanium,benzoate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C31H57NO2 |
| Molecular Weight | 475.43893 g/mol |
| XLogP | 8.17 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 475.43893 Da |
| Heavy Atoms | 34 |
| Complexity | 293.0 |
| SMILES | CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | PSEQWFPWQRZBOO-UHFFFAOYSA-M |
Chemical Property Profile of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)
Property Insights of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)
The XLogP value of 8.17 indicates that 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)?
The CAS number of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) is 16436-29-6.
What is the molecular formula of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)?
The molecular formula of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) is C31H57NO2.
What is the molecular weight of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)?
The molecular weight of 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) is 475.43893 g/mol.
Where can I buy 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)?
You can request a quote for 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.