1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
TL;DR: 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) (CAS 123312-54-9) is a chemical compound with molecular formula C38H81NO4S and molecular weight 647.5886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl(dioctadecyl)azanium;hydrogen sulfate
Also Known As: Sumquat 6040, Quaternary Ammonium salt, Distearyldimethylammonium bisulfate, distearyl dimethyl ammonium bisulfate, 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C38H81NO4S |
| Molecular Weight | 647.5886 g/mol |
| XLogP | 12.59 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 647.5886 Da |
| Heavy Atoms | 44 |
| Complexity | 466.0 |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-] |
| InChIKey | DYJCDOZDBMRUEB-UHFFFAOYSA-M |
Chemical Property Profile of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
Property Insights of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
The XLogP value of 12.59 indicates that 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1). Following Lipinski's Rule of Five, 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)?
The CAS number of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) is 123312-54-9.
What is the molecular formula of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)?
The molecular formula of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) is C38H81NO4S.
What is the molecular weight of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)?
The molecular weight of 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) is 647.5886 g/mol.
Where can I buy 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)?
You can request a quote for 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.