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2D Structure
Also known as: 27710-82-3, (3-(dimethylamino)propyl)triphenylphosphonium bromide hydrobromide, (3-dimethylaminopropyl)triphenylphosphonium bromide hydrobromide, Mfcd00077740, Ec 608-135-2, Schembl246032
Molecular Formula
C23H28Br2NP
Molecular Weight
509.3  g/mol
InChI Key
NEQVFHFOWYYPBS-UHFFFAOYSA-M

1 2D Structure

2D Structure

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. (3-dimethylaminopropyl)triphenylphosphonium Bromide Hydrobromide

4. Mfcd00077740

5. Ec 608-135-2

6. Schembl246032

7. Dtxsid20635333

8. Akos015889870

9. Ab02982

10. Ac-4737

11. Am84872

12. [3-(dimethylamino)propyl](triphenyl)phosphanium Bromide--hydrogen Bromide (1/1/1)

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

14. (2-carboxyphenyl)iminodiaceticacid

15. Sy043358

16. Db-016410

17. Cs-0151289

18. Ft-0638717

19. Dimethylaminopropyltriphenylphosphonium Bromide Hbr

20. (3-dimethylaminopropyl)-triphenylphosphoniumbromide Hbr

21. (3-(dimethylamino)propyl)triphenylphosphoniumbromidehydrobromide

22. 3-(dimethylamino)propyltriphenylphosphonium Bromide Hydrobromide

23. (3-(dimethylamino)propyl)triphenyl-phosphonium Bromide Hydrobromide

24. (3-dimethylaminopropyl)-triphenylphosphonium Bromide Hydrobromide

25. (3-(dimethylamino)propyl)triphenylphosphonium Bromide Hydrobromide Salt

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 Ų
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