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    Technical details about Tox21_300295, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_300295

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. Also known as: 126-11-4, 2-(hydroxymethyl)-2-nitropropane-1,3-diol, 2-(hydroxymethyl)-2-nitro-1,3-propanediol, Cimcool wafers, Trimethylolnitromethane, Tris nitro
    Molecular Formula
    C4H9NO5
    Molecular Weight
    151.12  g/mol
    InChI Key
    OLQJQHSAWMFDJE-UHFFFAOYSA-N
    FDA UNII
    3E794G4ZRB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(hydroxymethyl)-2-nitropropane-1,3-diol
    2.1.2 InChI
    InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
    2.1.3 InChI Key
    OLQJQHSAWMFDJE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(CO)(CO)[N+](=O)[O-])O
    2.2 Other Identifiers
    2.2.1 UNII
    3E794G4ZRB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(hydroxymethyl)-2-nitro-1,3-propanediol

    2. Tris Nitro

    2.3.2 Depositor-Supplied Synonyms

    1. 126-11-4

    2. 2-(hydroxymethyl)-2-nitropropane-1,3-diol

    3. 2-(hydroxymethyl)-2-nitro-1,3-propanediol

    4. Cimcool Wafers

    5. Trimethylolnitromethane

    6. Tris Nitro

    7. Isobutylglycerol, Nitro-

    8. Nitroisobutylglycerol

    9. Trihydroxymethylnitromethane

    10. 1,3-propanediol, 2-(hydroxymethyl)-2-nitro-

    11. Methane, Trimethylolnitro-

    12. Nitrotris(hydroxymethyl)methane

    13. 2-(hydroxymethyl)-2-nitropropanediol

    14. 2-nitro-2-(hydroxymethyl)-1,3-propanediol

    15. 1,1,1-tris(hydroxymethyl)nitromethane

    16. 2-hydroxymethyl-2-nitro-1,3-propanediol

    17. Nsc 17675

    18. Mfcd00007395

    19. Tris-hydroxymethylnitromethane

    20. 3e794g4zrb

    21. Nsc-17675

    22. Dsstox_cid_7034

    23. Wln: Wnx1q1q1q

    24. Nitromethylidynetrimethanol

    25. Dsstox_rid_78284

    26. Dsstox_gsid_27034

    27. Caswell No. 495

    28. 1, 2-(hydroxymethyl)-2-nitro-

    29. 1,1-tris(hydroxymethyl)nitromethane

    30. Cas-126-11-4

    31. 2-hydroxymethyl-2-nitropropane-1,3-diol

    32. Hsdb 6810

    33. Einecs 204-769-5

    34. Epa Pesticide Chemical Code 083902

    35. Unii-3e794g4zrb

    36. Ai3-02259

    37. Tris(hydroxymrthyl) Nitromemethane

    38. Nitrotrimethylolmethane

    39. 2-(hydroxymethyl)-2 Nitro-1,3-propanediol

    40. Trishydroxymethylnitromethane

    41. Nitromethylidynetri(methanol)

    42. Schembl22312

    43. Tris Hydroxymethyl Nitromethane

    44. 1,3-propanediol, 2-(hydroxymethyl)-2-nitro

    45. Tris(hydroxymethyl) Nitromethane

    46. Chembl1895497

    47. Dtxsid8027034

    48. Nsc2344

    49. Nsc-2344

    50. Nsc17675

    51. Zinc1640851

    52. Tox21_200441

    53. Tox21_300295

    54. Ac7921

    55. Tris(hydroxymethyl)nitromethane, 98%

    56. 2-hydroxymethyl-2-nitro-1,3-propanediol(tris(hydroxymethyl)nitromethane)

    57. Akos000278326

    58. S.s.t Sump Saver Tablets (salt/mix)

    59. Cs-w018127

    60. Ncgc00164036-01

    61. Ncgc00164036-02

    62. Ncgc00164036-03

    63. Ncgc00254029-01

    64. Ncgc00257995-01

    65. As-17516

    66. Sy062183

    67. Db-041809

    68. Tris(hydroxymethyl)nitromethane [mi]

    69. Ft-0608817

    70. H0271

    71. Tris-hydroxymethylnitromethane [inci]

    72. 2-(hydroxymethyl)-2-nitro- 1,3-propanediol

    73. En300-17934

    74. A805508

    75. J-005330

    76. J-525136

    77. Q10866600

    78. Z57124105

    79. 2-hydroxymethyl-2-nitro-1,3-propanediol [hsdb]

    80. F0001-0384

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 151.12 g/mol
    Molecular Formula C4H9NO5
    XLogP3-2.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass151.04807239 g/mol
    Monoisotopic Mass151.04807239 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity107
    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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