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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1941-30-6, Tetra-n-propylammonium bromide, Tetrapropylazanium;bromide, 1-propanaminium, n,n,n-tripropyl-, bromide, Tetrapropyl ammonium bromide, Mfcd00011840

Molecular Formula

C₁₂H₂₈BrN

Molecular Weight

266.26 g/mol

InChI Key

BGQMOFGZRJUORO-UHFFFAOYSA-M

FDA UNII

220T63791N

1 2D Structure

Tetrapropylammonium bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrapropylazanium;bromide

2.1.2 InChI

InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

BGQMOFGZRJUORO-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCC[N+](CCC)(CCC)CCC.[Br-]

2.2 Other Identifiers

2.2.1 UNII

220T63791N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1941-30-6

2. Tetra-n-propylammonium Bromide

3. Tetrapropylazanium;bromide

4. 1-propanaminium, N,n,n-tripropyl-, Bromide

5. Tetrapropyl Ammonium Bromide

6. Mfcd00011840

7. N,n,n-tripropylpropan-1-aminium Bromide

8. 1-propanaminium, N,n,n-tripropyl-, Bromide (1:1)

9. 220t63791n

10. Tetra Propyl Ammonium Bromide

11. Tpabr

12. N,n,n-tripropyl-1-propanaminium Bromide

13. Tetrapropylazanium Bromide

14. Einecs 217-727-6

15. Ammonium, Tetrapropyl-, Bromide

16. Unii-220t63791n

17. Tetrapropylammoniumbromide

18. Tripropyl Ammonium Bromide

19. Dsstox_cid_6130

20. Ec 217-727-6

21. Dsstox_rid_78029

22. Dsstox_gsid_26130

23. Schembl82922

24. Chembl3561370

25. Dtxsid9026130

26. Chebi:55318

27. Bcp24456

28. Tox21_301504

29. Akos015907873

30. Ds-3414

31. Jc10017

32. Ncgc00255238-01

33. Tetrapropylammonium Bromide Extrapure

34. Sy009939

35. Cas-1941-30-6

36. Db-050408

37. Ft-0651983

38. T0694

39. N,n,n-tripropyl-1-propanaminium Bromide (1:1)

40. A813701

41. J-012572

42. J-524898

43. Q27124224

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₈BrN
Molecular Weight	266.26 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	265.14051 g/mol
Monoisotopic Mass	265.14051 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	80.2
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