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Tetrabutylazanium Nitrate

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Chemistry

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Also known as: 1941-27-1, Tetra-n-butylammonium nitrate, 1-butanaminium, n,n,n-tributyl-, nitrate, Tetrabutyl-ammonium nitrate, Tetrabutylazanium;nitrate, Tetrabutylazanium nitrate

Molecular Formula

C₁₆H₃₆N₂O₃

Molecular Weight

304.47 g/mol

InChI Key

QHOKENWFMZXSEU-UHFFFAOYSA-N

1 2D Structure

tetrabutylazanium nitrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrabutylazanium;nitrate

2.1.2 InChI

InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1

2.1.3 InChI Key

QHOKENWFMZXSEU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]

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 Perchlorate

14. Tetrabutylammonium Sulfate

15. Tetrabutylammonium Sulfate (1:1), Sodium Salt

2.2.2 Depositor-Supplied Synonyms

1. 1941-27-1

2. Tetra-n-butylammonium Nitrate

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

4. Tetrabutyl-ammonium Nitrate

5. Tetrabutylazanium;nitrate

6. Tetrabutylazanium Nitrate

7. Einecs 217-726-0

8. Ammonium, Tetrabutyl-, Nitrate

9. Nsc 221165

10. N-n-n-tributyl-1-butanaminium Nitrate

11. Tetrabutylazanium,nitrate

12. Tetrabutyl Ammonium Nitrate

13. Schembl57347

14. 1-butanaminium, N,n,n-tributyl-, Nitrate (1:1)

15. Chembl1078150

16. Dtxsid8062076

17. Bis(tetrabutylammonium)mononitrate

18. Amy22486

19. Baa94127

20. Str09673

21. Ammonium Nitrate, Tetra-(n-butyl)-

22. Mfcd00043202

23. Akos015900826

24. Dihydroxy(oxo)azanium;tetrabutylazanium

25. Db-044849

26. Cs-0138869

27. Ft-0633928

28. T3651

29. H12059

30. A925177

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₆N₂O₃
Molecular Weight	304.47 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	304.27259301 g/mol
Monoisotopic Mass	304.27259301 g/mol
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	21
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

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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