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2D Structure
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

2D Structure

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 Weight 266.26 g/mol
Molecular Formula C12H28BrN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass265.14051 g/mol
Monoisotopic Mass265.14051 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity80.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2