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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 38932-80-8, N,n,n,n-tetrabutylammonium tribromide, Tetrabutyl ammonium tribromide, Tetra-n-butylammonium tribromide, Mono(tetrabutylammonium) tribromide, Tbabr3

Molecular Formula

C₁₆H₃₆Br₃N

Molecular Weight

482.2 g/mol

InChI Key

XXSLZJZUSYNITM-UHFFFAOYSA-N

1 2D Structure

Tetrabutylammonium tribromide

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C16H36N.Br3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1

2.1.2 InChI Key

XXSLZJZUSYNITM-UHFFFAOYSA-N

2.1.3 Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.Br[Br-]Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38932-80-8

2. N,n,n,n-tetrabutylammonium Tribromide

3. Tetrabutyl Ammonium Tribromide

4. Tetra-n-butylammonium Tribromide

5. Mono(tetrabutylammonium) Tribromide

6. Tbabr3

7. Tetrabutylammonium Bromide Perbromide

8. Mfcd00012110

9. Tetrabutylam-monium Tribromide

10. Schembl19182755

11. Dtxsid801028457

12. Tetrabutylammonium Tribromide, 98%

13. Ac-773

14. N,n,n,n-tetrabutylammoniumtribromide

15. Akos015963340

16. Ds-4304

17. T1284

18. A824335

19. Q7706217

20. Tetrabutylammonium Tribromide, Purum, >=98.0% (rt)

21. Tetrabutylammonium Tribromide;n,n,n,n-tetrabutylammonium Tribromide

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₆Br₃N
Molecular Weight	482.2 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	481.03774 g/mol
Monoisotopic Mass	479.03979 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	116
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