CAS 6298-37-9

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CHEMISTRY

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Chemistry

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Also known as: 6-aminoquinoxaline, 6298-37-9, 6-quinoxalinamine, 6-quinoxalinylamine, Mfcd00462821, Nsc-41810

Molecular Formula

C₈H₇N₃

Molecular Weight

145.16 g/mol

InChI Key

MSGRFBKVMUKEGZ-UHFFFAOYSA-N

FDA UNII

63DFT3JVT4

1 2D Structure

CAS 6298-37-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

quinoxalin-6-amine

2.1.2 InChI

InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2

2.1.3 InChI Key

MSGRFBKVMUKEGZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NC=CN=C2C=C1N

2.2 Other Identifiers

2.2.1 UNII

63DFT3JVT4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6-aminoquinoxaline

2. 6298-37-9

3. 6-quinoxalinamine

4. 6-quinoxalinylamine

5. Mfcd00462821

6. Nsc-41810

7. 63dft3jvt4

8. Brimonidine Related Compound (6-aminoquinoxaline)

9. 6-chinoxalinamin

10. Quinoxalin-6-ylamine

11. Quinoxaline-6-ylamine

12. Nsc41810

13. 6-amino-quinoxaline

14. Quinoxalin, 6-amino-

15. 6-aminoquinoxaline, 95%

16. Unii-63dft3jvt4

17. Oprea1_827545

18. Oprea1_871228

19. Schembl180342

20. Chembl3353658

21. Dtxsid40285430

22. Zinc158699

23. Act10852

24. Albb-013497

25. Stk735135

26. Brimonidine Tartrate Impurity C [ep]

27. Akos000111811

28. Ab06131

29. Cs-w018250

30. Sdccgmls-0065959.p001

31. Ac-22555

32. Sy033487

33. Db-011466

34. Bb 0217046

35. Ft-0621312

36. En300-43936

37. Vu0430673-1

38. 298a379

39. 5r-0605

40. Ae-842/31875017

41. Q-100726

42. Brimonidine Tartrate Impurity C [ep Impurity]

43. F2158-0294

44. Z449369206

45. Jb5

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇N₃
Molecular Weight	145.16 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	145.063997236 g/mol
Monoisotopic Mass	145.063997236 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
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