CAS 10310-21-1

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2 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 10310-21-1, 6-chloroguanine, 6-chloro-7h-purin-2-amine, 6-chloro-9h-purin-2-amine, 6-chloro-2-aminopurine, 2-amino-6-chlorpurine

Molecular Formula

C₅H₄ClN₅

Molecular Weight

169.57 g/mol

InChI Key

RYYIULNRIVUMTQ-UHFFFAOYSA-N

FDA UNII

83V03P835E

1 2D Structure

CAS 10310-21-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-7H-purin-2-amine

2.1.2 InChI

InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)

2.1.3 InChI Key

RYYIULNRIVUMTQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC2=C(N1)C(=NC(=N2)N)Cl

2.2 Other Identifiers

2.2.1 UNII

83V03P835E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 10310-21-1

2. 6-chloroguanine

3. 6-chloro-7h-purin-2-amine

4. 6-chloro-9h-purin-2-amine

5. 6-chloro-2-aminopurine

6. 2-amino-6-chlorpurine

7. Purine, 2-amino-6-chloro-

8. 2-amino-6-chloro-purin

9. 1h-purin-2-amine, 6-chloro-

10. 6-chloro-7h-purin-2-ylamine

11. 9h-purin-2-amine, 6-chloro-

12. 2-amino-6-chloro-purine

13. 6-chloro-1h-purin-2-amine

14. Mfcd00075252

15. 2-amino-6-chloro-9h-purine

16. 2-amino-6-chloropurin-9-yl

17. 6-chloro-2-purinamine

18. 2-amino-6-chloro Purine

19. 6-chloro-2-amino-purine

20. 6-chloro-9h-purin-2-ylamine

21. Famciclovir Related Compound F

22. Chembl226396

23. Chebi:72345

24. Nsc-29570

25. 83v03p835e

26. 133762-81-9

27. Einecs 233-686-7

28. Nsc 29570

29. Ccris 3906

30. Unii-83v03p835e

31. 6gu

32. Aurora Ka-689

33. 2-amino-6chloropurine

34. 6-cl-purine (1)

35. Bmse000984

36. Schembl6711

37. Mls006011426

38. 6-chloro-1h-purine-2-amine

39. 2-amino-6-chloropurine, 97%

40. Dtxsid9074432

41. 6-chloro-9h-purin-2-amine #

42. Am677

43. 2-amino-6-chloropurine, >=99%

44. Act02228

45. Albb-023676

46. Bcp27028

47. Cs-d1374

48. Nsc29570

49. Zinc6523923

50. Ab2611

51. Bbl010748

52. Bdbm50208877

53. Stk801756

54. Akos000266285

55. Akos005622720

56. Akos028108866

57. Ac-5457

58. As-2051

59. 6-chloro-2-purinamine, 6-chloroguanine

60. Smr002529527

61. Sy001781

62. 6-chloro-9h-purin-2-yl-2-amine

63. Db-005179

64. Ft-0600035

65. C-4110

66. Famciclovir Related Compound F [usp-rs]

67. 310a211

68. Sr-01000944797

69. Q-200234

70. Sr-01000944797-1

71. Q27139921

72. 9-n-butyl-1,2,3,4,5,6,7,8-octahydroacridin-4-ol

73. F0001-0084

74. Z2723701924

75. Famciclovir Related Compound F, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₄ClN₅
Molecular Weight	169.57 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	169.0155228 g/mol
Monoisotopic Mass	169.0155228 g/mol
Topological Polar Surface Area	80.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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