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    CAS 1839-18-5 manufacturers and suppliers on PharmaCompass

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    CAS 1839-18-5

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    CAS 1839-18-5
    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

    CAS 1839-18-5

    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
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