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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Tributylmethylammonium Chloride

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 Formula	C₁₃H₃₀ClN
Molecular Weight	235.84 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	235.2066777 g/mol
Monoisotopic Mass	235.2066777 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	98.6
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