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2D Structure
Also known as: 1839-18-5, 2-chloro-7h-purin-6-amine, 2-chloro-9h-purin-6-amine, 6-amino-2-chloropurine, 2-chloro-6-aminopurine, Adenine, 2-chloro-
Molecular Formula
C5H4ClN5
Molecular Weight
169.57  g/mol
InChI Key
HBJGQJWNMZDFKL-UHFFFAOYSA-N
FDA UNII
A05OL9V6OM

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-7H-purin-6-amine
2.1.2 InChI
InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
2.1.3 InChI Key
HBJGQJWNMZDFKL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NC2=NC(=NC(=C2N1)N)Cl
2.2 Other Identifiers
2.2.1 UNII
A05OL9V6OM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1839-18-5

2. 2-chloro-7h-purin-6-amine

3. 2-chloro-9h-purin-6-amine

4. 6-amino-2-chloropurine

5. 2-chloro-6-aminopurine

6. Adenine, 2-chloro-

7. Cladribine Impurity C

8. 1h-purin-6-amine, 2-chloro-

9. A05ol9v6om

10. Chembl134192

11. 31458-56-7

12. 9h-purin-6-amine, 2-chloro-

13. Nsc-7362

14. 6-amino-2-chloro-7h-purine

15. Mfcd00037925

16. 2-chloro-7h-purin-6-amine (2-chloroadenine)

17. 6-amino-2-chloro-purine

18. 2-chloradenin

19. Clade

20. Ai3-52061

21. 2-chloroadenine, 97%

22. 2-chloro-6-amino Purine

23. Unii-a05ol9v6om

24. Schembl29745

25. 2-chloro-1h-purin-6-amine

26. Purine, 6-amino-2-chloro-

27. 2-chloro-1h-purine-6-amine

28. 2-chloro-9h-purin-6-ylamine

29. Dtxsid30171515

30. Nsc7362

31. Am799

32. Bcp20072

33. Nsc 7362

34. Zinc4411053

35. 6-amino-2-chloro-9h-purine

36. Bbl101268

37. Bdbm50056180

38. Stl555064

39. Akos005257637

40. Akos006281627

41. Akos028109325

42. 2-chloroadenine [usp Impurity]

43. Ab01672

44. Ac-1007

45. Cs-w017715

46. Ps-4933

47. 2-chloro-9h-purin-6-amine, Aldrichcpr

48. Sq 22982

49. Sq-22982

50. Sy035219

51. Cladribine Impurity C [ep Impurity]

52. Db-005233

53. Sq 22,982

54. Ft-0601064

55. 839c185

56. Q-200260

57. Cladribine Impurity C, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 169.57 g/mol
Molecular Formula C5H4ClN5
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass169.0155228 g/mol
Monoisotopic Mass169.0155228 g/mol
Topological Polar Surface Area80.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1