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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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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

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 Formula	C₁₈H₃₉NO₂
Molecular Weight	301.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	301.298079487 g/mol
Monoisotopic Mass	301.298079487 g/mol
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	142
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