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    CAS 41253-21-8 manufacturers and suppliers on PharmaCompass

    Client Email Product

    NVMNEWNGLGACBB-UHFFFAOYSA-N

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    NVMNEWNGLGACBB-UHFFFAOYSA-N
    Also known as: 41253-21-8, Sodium 1,2,4-triazol-1-ide, 1,2,4-triazolylsodium, Sodium 1,2,4-triazolide, 1,2,4-triazole sodium derivative, Sodium 1h-1,2,4-triazolate
    Molecular Formula
    C2H2N3Na
    Molecular Weight
    91.05  g/mol
    InChI Key
    NVMNEWNGLGACBB-UHFFFAOYSA-N
    FDA UNII
    X90002Y44E
    1 2D Structure

    NVMNEWNGLGACBB-UHFFFAOYSA-N

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
    2.1.2 InChI
    InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1
    2.1.3 InChI Key
    NVMNEWNGLGACBB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NC=N[N-]1.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    X90002Y44E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 41253-21-8

    2. Sodium 1,2,4-triazol-1-ide

    3. 1,2,4-triazolylsodium

    4. Sodium 1,2,4-triazolide

    5. 1,2,4-triazole Sodium Derivative

    6. Sodium 1h-1,2,4-triazolate

    7. 1,2,4-triazole Sodium Salt

    8. 1,2,4-triazole, Sodium Salt

    9. Sodium 1h-1,2,4-triazolide

    10. 1,2,4-triazole Sodium

    11. Sodium-1,2,4-triazolide

    12. 1h-1,2,4-triazole, Sodium Salt (1:1)

    13. Sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene

    14. Mfcd00044437

    15. X90002y44e

    16. 1h-1,2,4-triazole Sodium Salt

    17. Smr000857331

    18. Einecs 255-280-9

    19. Unii-x90002y44e

    20. Sodium-1,2,4-triazole

    21. Ec 255-280-9

    22. Dsstox_cid_12722

    23. Dsstox_rid_79035

    24. Dsstox_gsid_32722

    25. Nsc 83128 (sodium)

    26. Mls001335997

    27. Mls001335998

    28. Sodium1,2,4-triazol-1-ide

    29. 1,2,4-triazol-1-yl Sodium

    30. Chembl1377189

    31. Dtxsid6032722

    32. 1-sodio-1h-1,2,4-triazole

    33. Act03387

    34. Tox21_200054

    35. Akos015914928

    36. Akos015964116

    37. Akos025310702

    38. Ncgc00090960-01

    39. Ncgc00257608-01

    40. Ac-18516

    41. Bp-12613

    42. Sy004810

    43. Sodium 1h-1,2,4-triazol-1-ide

    44. Cas-41253-21-8

    45. J321.870h

    46. Cs-0136347

    47. Ft-0607866

    48. 1,2,4-triazole Sodium Derivative, Technical Grade

    49. 253t218

    50. A825489

    51. W-106312

    52. Q27293703

    53. Sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene;1,2,4-triazole Sodium

    2.4 Create Date
    2005-09-16
    3 Chemical and Physical Properties
    Molecular Weight 91.05 g/mol
    Molecular Formula C2H2N3Na
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass91.01464136 g/mol
    Monoisotopic Mass91.01464136 g/mol
    Topological Polar Surface Area26.8 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity32
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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