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ACTIVE PHARMA INGREDIENTS

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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

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 Formula	C₁₉H₃₄BrN
Molecular Weight	356.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	355.18746 g/mol
Monoisotopic Mass	355.18746 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	196
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