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Chemistry

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Also known as: 10534-59-5, Tetra-n-butylammonium acetate, 1-butanaminium, n,n,n-tributyl-, acetate, Tetrabutylazanium;acetate, Tetrabutyl ammonium acetate, Mfcd00043208
Molecular Formula
C18H39NO2
Molecular Weight
301.5  g/mol
InChI Key
MCZDHTKJGDCTAE-UHFFFAOYSA-M

Tetrabutylammonium acetate
1 2D Structure

Tetrabutylammonium acetate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tetrabutylazanium;acetate
2.1.2 InChI
InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
2.1.3 InChI Key
MCZDHTKJGDCTAE-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 10534-59-5

2. Tetra-n-butylammonium Acetate

3. 1-butanaminium, N,n,n-tributyl-, Acetate

4. Tetrabutylazanium;acetate

5. Tetrabutyl Ammonium Acetate

6. Mfcd00043208

7. Tetrabutylazanium Acetate

8. Einecs 234-101-8

9. Tetrabutylazanium Ethanoate

10. Tetra Butyl Ammonium Acetate

11. Schembl36122

12. 1-butanaminium, N,n,n-tributyl-, Acetate (1:1)

13. Chembl1079205

14. Dtxsid8065111

15. Bcp24468

16. Str04572

17. Akos015837512

18. Cs-w008039

19. Db-040611

20. Ft-0636730

21. T2694

22. D70423

23. A801201

24. A904707

25. J-001392

26. Tetra-n-butylammonium Acetate, 1.0m Aqueous Solution

27. Tetrabutylammonium Acetate (contains 17%acoh)

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 301.5 g/mol
Molecular Formula C18H39NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass301.298079487 g/mol
Monoisotopic Mass301.298079487 g/mol
Topological Polar Surface Area40.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity142
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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14-Sep-2021
03-Oct-2024
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