CAS 50358-63-9

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Also known as: 6-amino-5-bromoquinoxaline, 50358-63-9, 5-bromo-6-quinoxalinamine, 6-quinoxalinamine, 5-bromo-, Mfcd00799024, Eu356da5q4

Molecular Formula

C₈H₆BrN₃

Molecular Weight

224.06 g/mol

InChI Key

IRAOSCSPAYZRJE-UHFFFAOYSA-N

FDA UNII

EU356DA5Q4

1 2D Structure

CAS 50358-63-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromoquinoxalin-6-amine

2.1.2 InChI

InChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2

2.1.3 InChI Key

IRAOSCSPAYZRJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NC=CN=C2C(=C1N)Br

2.2 Other Identifiers

2.2.1 UNII

EU356DA5Q4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6-amino-5-bromoquinoxaline

2. 50358-63-9

3. 5-bromo-6-quinoxalinamine

4. 6-quinoxalinamine, 5-bromo-

5. Mfcd00799024

6. Eu356da5q4

7. 134892-45-8

8. Brimonidine Related Compound (5-bromo-6-aminoquinoxaline)

9. 6-aminochinoxalin-5-bromchinoxalin

10. 5-bromo-6-aminoquinoxaline

11. Unii-eu356da5q4

12. 6-amino-5-bromo Quinoxaline

13. Schembl180196

14. Dtxsid701310968

15. Ac-193

16. Am9700

17. Bbl023036

18. Stl356016

19. Zinc16123529

20. Brimonidine Tartrate Impurity B [ep]

21. Akos015854599

22. Cs-w022443

23. Sy030906

24. Ts-03199

25. Ft-0620934

26. Ft-0650286

27. 358a639

28. Q-100562

29. Brimonidine Tartrate Impurity B [ep Impurity]

2.4 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₆BrN₃
Molecular Weight	224.06 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	222.97451 g/mol
Monoisotopic Mass	222.97451 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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	1