Diethanolamine perfluoroctanesulfonate
TL;DR: Diethanolamine perfluoroctanesulfonate (CAS 70225-14-8) is a chemical compound with molecular formula C12H12F17NO5S and molecular weight 605.0165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: bis(2-hydroxyethyl)ammonium perfluorooctanesulfonate, PFOS sel de diethanolamine, Diethanolamine perfluoroctanesulfonate, FC-99(Perfluoroalkylsulfoamide), C8HF17O3S.C4H11NO2
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12F17NO5S |
| Molecular Weight | 605.0165 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 605.0165 Da |
| Heavy Atoms | 36 |
| Complexity | 756.0 |
| SMILES | C(CO)NCCO.C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | OHPZNXYJAZBDSJ-UHFFFAOYSA-N |
Chemical Property Profile of Diethanolamine perfluoroctanesulfonate
Property Insights of Diethanolamine perfluoroctanesulfonate
The XLogP value of 3.4 indicates that Diethanolamine perfluoroctanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethanolamine perfluoroctanesulfonate. Following Lipinski's Rule of Five, Diethanolamine perfluoroctanesulfonate has 4 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Diethanolamine perfluoroctanesulfonate?
The CAS number of Diethanolamine perfluoroctanesulfonate is 70225-14-8.
What is the molecular formula of Diethanolamine perfluoroctanesulfonate?
The molecular formula of Diethanolamine perfluoroctanesulfonate is C12H12F17NO5S.
What is the molecular weight of Diethanolamine perfluoroctanesulfonate?
The molecular weight of Diethanolamine perfluoroctanesulfonate is 605.0165 g/mol.
Where can I buy Diethanolamine perfluoroctanesulfonate?
You can request a quote for Diethanolamine perfluoroctanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethanolamine perfluoroctanesulfonate?
Yes, CoreyChem provides custom synthesis services for Diethanolamine perfluoroctanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.