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Chemistry

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Also known as: 25316-59-0, N-benzyl-n,n-dibutylbutan-1-aminium bromide, Benzyl tributyl ammonium bromide, Benzyl(tributyl)azanium;bromide, Benzenemethanaminium, n,n,n-tributyl-, bromide, Mfcd00011848
Molecular Formula
C19H34BrN
Molecular Weight
356.4  g/mol
InChI Key
UDYGXWPMSJPFDG-UHFFFAOYSA-M

Benzyltributylammonium Bromide
1 2D Structure

Benzyltributylammonium Bromide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl(tributyl)azanium;bromide
2.1.2 InChI
InChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
2.1.3 InChI Key
UDYGXWPMSJPFDG-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Benzyltributylammonium

2. Benzyltributylammonium Chloride

3. Benzyltributylammonium Hydroxide

2.2.2 Depositor-Supplied Synonyms

1. 25316-59-0

2. N-benzyl-n,n-dibutylbutan-1-aminium Bromide

3. Benzyl Tributyl Ammonium Bromide

4. Benzyl(tributyl)azanium;bromide

5. Benzenemethanaminium, N,n,n-tributyl-, Bromide

6. Mfcd00011848

7. Tributylbenzylammonium Bromide

8. Benzyl-tributyl-azanium

9. Benzyltri-n-butylammonium Bromide

10. Benzyltributyl Ammonium Bromide

11. Schembl240143

12. N-benzyltributyl-ammoniumbromide

13. Dtxsid80948158

14. Benzyl Tri-n-butylammonium Bromide

15. Benzyltri(n-butyl)ammonium Bromide

16. Benzyl-tri-(n-butyl)ammonium Bromide

17. Nsc152464

18. Tributyl-(phenylmethyl)azanium Bromide

19. Akos015833014

20. Benzyl-tri-(n-butyl) Ammonium Bromide

21. Tributyl-(phenylmethyl)ammonium Bromide

22. Cs-w011838

23. Jc10032

24. Nsc-152464

25. Ac-11050

26. Bs-16746

27. Sy037760

28. Db-050384

29. Ft-0622787

30. Ft-0657328

31. D70188

32. A817780

33. J-519835

34. Benzenemethanaminium, N,n,n-tributyl-, Bromide;benzyltri-n-butylammonium Bromide;benzyltributylammonium Bromide;tributylbenzylammonium Bromide;benzyl Tributyl Ammonium Bromide

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 356.4 g/mol
Molecular Formula C19H34BrN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass355.18746 g/mol
Monoisotopic Mass355.18746 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count21
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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