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    Technical details about CAS-544-16-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-544-16-1

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 544-16-1, N-butyl nitrite, 1-butyl nitrite, Nitrous acid, butyl ester, Nitrous acid butyl ester, Nitrous acid, n-butyl ester
    Molecular Formula
    C4H9NO2
    Molecular Weight
    103.12  g/mol
    InChI Key
    JQJPBYFTQAANLE-UHFFFAOYSA-N
    FDA UNII
    44P8QG0F3T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    butyl nitrite
    2.1.2 InChI
    InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
    2.1.3 InChI Key
    JQJPBYFTQAANLE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCON=O
    2.2 Other Identifiers
    2.2.1 UNII
    44P8QG0F3T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-butyl Nitrite

    2. N-butyl Nitrite, 15n-labeled

    2.3.2 Depositor-Supplied Synonyms

    1. 544-16-1

    2. N-butyl Nitrite

    3. 1-butyl Nitrite

    4. Nitrous Acid, Butyl Ester

    5. Nitrous Acid Butyl Ester

    6. Nitrous Acid, N-butyl Ester

    7. N-butylnitrite

    8. Butylnitrite

    9. Nci-c56553

    10. Nsc 8426

    11. N-c4h9ono

    12. Butyl Ester Of Nitrous Acid

    13. 44p8qg0f3t

    14. Nsc-8426

    15. Ccris 838

    16. Einecs 208-862-1

    17. Brn 1701036

    18. Unii-44p8qg0f3t

    19. Ai3-15310

    20. Nitrous Acid Butyl

    21. Butyl Nitrite, 95%

    22. Butyl Nitrite(technical)

    23. T-butyl-2-bromobutanoate

    24. Dsstox_cid_29378

    25. Dsstox_rid_83493

    26. Dsstox_gsid_49418

    27. N-butyl Nitrite [mi]

    28. Schembl166345

    29. Butyl Nitrite [mart.]

    30. Chembl3181968

    31. Dtxsid8049418

    32. Jqjpbyftqaanle-uhfffaoysa-

    33. Amy4016

    34. Nsc8426

    35. Chebi:173360

    36. Zinc4262304

    37. Tox21_202927

    38. Mfcd00002058

    39. Stl280334

    40. Akos015995388

    41. Un 2351

    42. Ncgc00260473-01

    43. Bp-20316

    44. Cas-544-16-1

    45. Ls-13006

    46. Db-000272

    47. N0376

    48. A830171

    49. J-519967

    50. J-802250

    51. Q3342208

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 103.12 g/mol
    Molecular Formula C4H9NO2
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass103.063328530 g/mol
    Monoisotopic Mass103.063328530 g/mol
    Topological Polar Surface Area38.7 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity47
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

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