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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

CAS 27710-82-3
1 2D Structure

CAS 27710-82-3

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

BUILDING BLOCK

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