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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 429-42-5, Tetra-n-butylammonium tetrafluoroborate, Tetrabutylammonium fluoroborate, 1-butanaminium, n,n,n-tributyl-, tetrafluoroborate(1-), Tetrabutylammoniumtetrafluoroborate, Tetrabutylazanium;tetrafluoroborate

Molecular Formula

C₁₆H₃₆BF₄N

Molecular Weight

329.3 g/mol

InChI Key

NNZZSJSQYOFZAM-UHFFFAOYSA-N

1 2D Structure

Tetrabutylammonium Tetrafluoroborate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrabutylazanium;tetrafluoroborate

2.1.2 InChI

InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1

2.1.3 InChI Key

NNZZSJSQYOFZAM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

[B-](F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Nbu4 Bf4

2.2.2 Depositor-Supplied Synonyms

1. 429-42-5

2. Tetra-n-butylammonium Tetrafluoroborate

3. Tetrabutylammonium Fluoroborate

4. 1-butanaminium, N,n,n-tributyl-, Tetrafluoroborate(1-)

5. Tetrabutylammoniumtetrafluoroborate

6. Tetrabutylazanium;tetrafluoroborate

7. Tetrabutyl Ammonium Tetrafluoroborate

8. Tetrabutyl-ammonium Tetrafluoroborate

9. Tetrabutylammonium Fluoborate

10. Mfcd00011634

11. Einecs 207-058-8

12. Schembl15098

13. Tetra Butyl Ammonium Fluoborate

14. Chembl1078071

15. Dtxsid7059983

16. Tetra-n-butyl Ammonium Fluoroborate

17. Tetrabutylazanium; Tetrafluoroboranuide

18. Akos015832947

19. Sc10017

20. Ac-11053

21. As-11610

22. Db-050998

23. Ft-0632123

24. T0914

25. T2648

26. F13072

27. Tetra(but-1-yl)ammonium Tetrafluoroborate

28. 1-butanaminium, N,n,n-tributyl-, Tetrafluoroborate(1-) (1:1)

29. Tetra(but-1-yl)ammonium Tetrafluoroborate;tetra-n-butylammonium Fluoroborate;tetra-n-butylammonium Tetrafluoroborate;tetrabutylammonium Fluoroborate;tetrabutylammonium Tetrafluoroborate

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₆BF₄N
Molecular Weight	329.3 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	329.2876930 g/mol
Monoisotopic Mass	329.2876930 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	135
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