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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 23616-79-7, N-benzyl-n,n-dibutylbutan-1-aminium chloride, Benzyltri-n-butylammonium chloride, Benzyl tributyl ammonium chloride, Benzyl(tributyl)azanium;chloride, Benzenemethanaminium, n,n,n-tributyl-, chloride

Molecular Formula

C₁₉H₃₄ClN

Molecular Weight

311.9 g/mol

InChI Key

VJGNLOIQCWLBJR-UHFFFAOYSA-M

1 2D Structure

Benzyltributylammonium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl(tributyl)azanium;chloride

2.1.2 InChI

InChI=1S/C19H34N.ClH/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

VJGNLOIQCWLBJR-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Benzyltributylammonium

2. Benzyltributylammonium Bromide

3. Benzyltributylammonium Hydroxide

2.2.2 Depositor-Supplied Synonyms

1. 23616-79-7

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

3. Benzyltri-n-butylammonium Chloride

4. Benzyl Tributyl Ammonium Chloride

5. Benzyl(tributyl)azanium;chloride

6. Benzenemethanaminium, N,n,n-tributyl-, Chloride

7. Tributylbenzylammonium Chloride

8. Benzenemethanaminium, N,n,n-tributyl-, Chloride (1:1)

9. Benzyl-tributyl-azanium

10. Benzyltributylazanium Chloride

11. Benzyl(tributyl)azanium,chloride

12. Einecs 245-787-3

13. Mfcd00011849

14. Benzyltributylamonium Chloride

15. Benzyl Tributylammoniumchloride

16. Schembl194044

17. Benzyl Tributylammonium Chloride

18. Benzyl-tributylammonium Chloride

19. Benzyltributyl Ammonium Chloride

20. Tributylbenzyl Ammonium Chloride

21. Benzyl(tributyl)ammonium Chloride

22. Benzyl-tributyl-ammonium-chloride

23. Dtxsid00885238

24. Tri-n-butylbenzylammonium Chloride

25. Benzyl Tri-n-butylammonium Chloride

26. Benzyl-tri-n-butylammonium Chloride

27. Benzyltri(n-butyl)ammonium Chloride

28. Benzyl Tri(n-butyl)ammonium Chloride

29. Benzyl-tri(n-butyl)ammonium Chloride

30. Benzyltri-(n-butyl)ammonium Chloride

31. Tri N-butyl Benzyl Ammonium Chloride

32. N-benzyl-tri-n-butylammonium Chloride

33. Akos015833144

34. Jc10030

35. As-12198

36. Db-050367

37. Ft-0622788

38. Ft-0658152

39. N-benzyl-n,n-dibutylbutan-1-aminiumchloride

40. D70187

41. A816807

42. J-015167

43. J-519836

44. Benzenemethanaminium,n,n,n-tributyl-, Chloride (1:1)

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₄ClN
Molecular Weight	311.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	311.2379778 g/mol
Monoisotopic Mass	311.2379778 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