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Overview of 27710-82-3

Client Email Product
4CH-016510
PharmaCompass
4CH-016510
Also known as: 27710-82-3, [3-(dimethylamino)propyl]triphenylphosphonium bromide hydrobromide, Ak106139, (3-dimethylaminopropyl)triphenylphosphonium bromide hydrobromide, Neqvfhfowyypbs-uhfffaoysa-m, C23h28br2np
Molecular Formula
C23H28Br2NP
Molecular Weight
509.3  g/mol
InChI Key
NEQVFHFOWYYPBS-UHFFFAOYSA-M

1 2D Structure

4CH-016510

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide
2.1.2 InChI
InChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1
2.1.3 InChI Key
NEQVFHFOWYYPBS-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CN(C)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Br.[Br-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 27710-82-3

2. [3-(dimethylamino)propyl]triphenylphosphonium Bromide Hydrobromide

3. Ak106139

4. (3-dimethylaminopropyl)triphenylphosphonium Bromide Hydrobromide

5. Neqvfhfowyypbs-uhfffaoysa-m

6. C23h28br2np

7. Ksc201s2p

8. Schembl246032

9. Ctk1a1927

10. Dtxsid20635333

11. Ks-00000hm7

12. Anw-73138

13. Cd0034

14. Mfcd00077740

15. Akos015889870

16. Ab02982

17. Ac-4737

18. Am84872

19. Acm27710823

20. Cc-00553

21. N760

22. Sy043358

23. Ab0016020

24. Ax8001596

25. St2407952

26. Tc-161883

27. Tl8002222

28. 4ch-016510

29. Ft-0638717

30. Mfcd00077740 (95%)

31. C-22993

32. Dimethylaminopropyltriphenylphosphonium Bromide Hbr

33. I01-3548

34. (3-dimethylaminopropyl)-triphenylphosphoniumbromide Hbr

35. (3-dimethylaminopropyl)triphenylphosphoniumbromidehydrobromide

36. 3-(dimethylamino)propyltriphenylphosphonium Bromide Hydrobromide

37. (3-dimethylamino-propyl)-triphenyl-phosphonium Bromide Hydrobromide

38. (3-dimethylaminopropyl)-triphenylphosphonium Bromide Hydrobromide

39. 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide

40. (3-(dimethylamino)propyl)triphenylphosphonium Bromide Hydrobromide Salt

41. [3-(dimethylamino)propyl](triphenyl)phosphanium Bromide--hydrogen Bromide (1/1/1)

42. Phosphonium, [3-(dimethylamino)propyl]triphenyl-, Bromide, Hydrobromide (1:1:1)

2.3 Create Date
2008-01-22
3 Chemical and Physical Properties
Molecular Weight 509.3 g/mol
Molecular Formula C23H28Br2NP
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass509.03056 g/mol
Monoisotopic Mass507.03261 g/mol
Topological Polar Surface Area3.2
Heavy Atom Count27
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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