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Tetrabutylammonium Hexafluorophosphate

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Tetrabutylammonium Hexafluorophosphate

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 Formula	C₁₆H₃₆F₆NP
Molecular Weight	387.43 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	387.24895612 g/mol
Monoisotopic Mass	387.24895612 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)

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