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2D Structure
Also known as: 56375-79-2, N,n-dibutyl-n-methylbutan-1-aminium chloride, Methyltributylammonium chloride, Methyl tributyl ammonium chloride, 1-butanaminium, n,n-dibutyl-n-methyl-, chloride, Aliquat 175
Molecular Formula
C13H30ClN
Molecular Weight
235.84  g/mol
InChI Key
IPILPUZVTYHGIL-UHFFFAOYSA-M
FDA UNII
AZ0B34ME3U

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tributyl(methyl)azanium;chloride
2.1.2 InChI
InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
2.1.3 InChI Key
IPILPUZVTYHGIL-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCC[N+](C)(CCCC)CCCC.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
AZ0B34ME3U
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Tbuma

2. Tri-n-butylmethylammonium

3. Tri-n-butylmethylammonium Chloride

4. Tri-n-butylmethylammonium Hydroxide

5. Tri-n-butylmethylammonium Sulfate (1:1)

6. Tributylmethylammonium

7. Tributylmethylammonium Iodide

2.3.2 Depositor-Supplied Synonyms

1. 56375-79-2

2. N,n-dibutyl-n-methylbutan-1-aminium Chloride

3. Methyltributylammonium Chloride

4. Methyl Tributyl Ammonium Chloride

5. 1-butanaminium, N,n-dibutyl-n-methyl-, Chloride

6. Aliquat 175

7. Tributyl(methyl)azanium;chloride

8. Az0b34me3u

9. Tri-n-butylmethylammonium Chloride

10. 1-butanaminium, N,n-dibutyl-n-methyl-, Chloride (1:1)

11. Mfcd00011847

12. Aliquat 175; Methyltributylammonium Chloride; Tributylmethylammonium Chloride

13. Unii-az0b34me3u

14. Einecs 260-135-8

15. Tributyl-methyl-azanium

16. Aliquat(r) 175

17. Ec 260-135-8

18. Dsstox_cid_24443

19. Dsstox_rid_80232

20. Dsstox_gsid_44443

21. Schembl165919

22. Methyl Tributylammonium Chloride

23. Methyl-tributylammonium Chloride

24. Tributylmethyl-ammonium Chloride

25. Tripropylmethylammonium Chloride

26. Chembl3181897

27. Dtxsid5044443

28. 3-amino-biphenyl-4-carboxylicacid

29. Tox21_302100

30. Akos015914843

31. Ds-4840

32. Ncgc00255710-01

33. Cas-56375-79-2

34. Db-050373

35. Cs-0008409

36. Ft-0656770

37. T2873

38. E80848

39. Methyltri-n-butylammonium Chloride, Aliquat? 175

40. Q27274198

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 235.84 g/mol
Molecular Formula C13H30ClN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass235.2066777 g/mol
Monoisotopic Mass235.2066777 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity98.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2