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2D Structure
Also known as: 3109-63-5, Tetrabutylammonium hexafluorophosphate(v), Tetra-n-butylammonium hexafluorophosphate, Mfcd00011748, 1-butanaminium, n,n,n-tributyl-, hexafluorophosphate(1-), Tetrabutylammoniumhexafluorophosphate
Molecular Formula
C16H36F6NP
Molecular Weight
387.43  g/mol
InChI Key
BKBKEFQIOUYLBC-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tetrabutylazanium;hexafluorophosphate
2.1.2 InChI
InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
2.1.3 InChI Key
BKBKEFQIOUYLBC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Tetra-n-butylammonium Dodecylsulfate

2. Tetra-n-butylammonium Hexafluorophosphate

3. Tetrabutylammonium

4. Tetrabutylammonium Azide

5. Tetrabutylammonium Bromide

6. Tetrabutylammonium Chloride

7. Tetrabutylammonium Cyanide

8. Tetrabutylammonium Fluoride

9. Tetrabutylammonium Hydrogen Sulfate

10. Tetrabutylammonium Hydroxide

11. Tetrabutylammonium Iodide

12. Tetrabutylammonium Monophosphate

13. Tetrabutylammonium Nitrate

14. Tetrabutylammonium Perchlorate

15. Tetrabutylammonium Sulfate

16. Tetrabutylammonium Sulfate (1:1), Sodium Salt

2.2.2 Depositor-Supplied Synonyms

1. 3109-63-5

2. Tetrabutylammonium Hexafluorophosphate(v)

3. Tetra-n-butylammonium Hexafluorophosphate

4. Mfcd00011748

5. 1-butanaminium, N,n,n-tributyl-, Hexafluorophosphate(1-)

6. Tetrabutylammoniumhexafluorophosphate

7. Tetrabutylazanium;hexafluorophosphate

8. Tetrabutyl-ammonium Hexafluorophosphate

9. Tetrabutylazanium,hexafluorophosphate

10. Einecs 221-472-6

11. 1-butanaminium, N,n,n-tributyl-, Hexafluorophosphate(1-) (1:1)

12. Bu4n+pf6-

13. Dtxsid0074344

14. Schembl19465633

15. Tetrabutylammonium Hexaflourophosphate

16. Akos015833792

17. Gs-6792

18. Tetrabutylammoniumhexafluorophosphate(v)

19. Tetra Butyl Ammonium Hexafluoro Phosphate

20. Sy011089

21. Tetra(n-butyl)ammonium-hexafluorophosphate

22. Db-068405

23. Cs-0017947

24. Ft-0688113

25. T1279

26. Tetra-(n-butyl)-ammonium Hexafluorophosphate

27. A820716

28. Hexafluoro-lambda5-phosphanuide; Tetrabutylazanium

29. J-018240

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 387.43 g/mol
Molecular Formula C16H36F6NP
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass387.24895612 g/mol
Monoisotopic Mass387.24895612 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Detergents

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)