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    Technical details about 2-Butyl-1H-Imidazole-4-Carbaldehyde, learn more about the structure, uses, toxicity, action, side effects and more

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    2-Butyl-1H-Imidazole-4-Carbaldehyde

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

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    2D Structure
    1. Also known as: 68282-49-5, 2-butyl-5-formylimidazole, 2-butyl-1h-imidazole-5-carbaldehyde, 2-butyl-4-formylimidazole, 2-butyl-1h-imidazole-5-carboxaldehyde, 2-butyl-4-imidazolyl formaldehyde
    Molecular Formula
    C8H12N2O
    Molecular Weight
    152.19  g/mol
    InChI Key
    PTHGVOCFAZSNNA-UHFFFAOYSA-N
    FDA UNII
    U12G73SQSX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-butyl-1H-imidazole-5-carbaldehyde
    2.1.2 InChI
    InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)
    2.1.3 InChI Key
    PTHGVOCFAZSNNA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC1=NC=C(N1)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    U12G73SQSX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 68282-49-5

    2. 2-butyl-5-formylimidazole

    3. 2-butyl-1h-imidazole-5-carbaldehyde

    4. 2-butyl-4-formylimidazole

    5. 2-butyl-1h-imidazole-5-carboxaldehyde

    6. 2-butyl-4-imidazolyl Formaldehyde

    7. 1h-imidazole-4-carboxaldehyde, 2-butyl-

    8. 1h-imidazole-5-carboxaldehyde, 2-butyl-

    9. 2-n-butyl-4-imidazolecarboxaldehyde

    10. 2-n-butyl-5-imidazolecarboxaldehyde

    11. U12g73sqsx

    12. 2-butylimidazole-4-carboxaldehyde

    13. Unii-u12g73sqsx

    14. 1h-imidazole-5-carboxaldehyde,2-butyl-

    15. 2-butylimidazol-5-aldehyde

    16. 2-n-butyl-5-formylimidazole

    17. Schembl633213

    18. Dtxsid50218431

    19. Bcp12028

    20. Zinc2572502

    21. Mfcd01075030

    22. 2-butyl-3h-imidazole-4-carbaldehyde

    23. Akos006223225

    24. 2-butyl-3h-imidazole-4-carboxaldehyde

    25. 2-n-butyl-1h-imidazole-4-carbaldehyde

    26. Ab42979

    27. Ac-8738

    28. Ps-4369

    29. Bp-10338

    30. Db-015191

    31. B4064

    32. Cs-0206435

    33. Ft-0611631

    34. D86458

    35. 2-butyl-1h-imidazole-4-carbaldehyde, Aldrichcpr

    36. 282b495

    37. A836077

    38. At-419/43501262

    39. J-508570

    40. Q27290542

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 152.19 g/mol
    Molecular Formula C8H12N2O
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass152.094963011 g/mol
    Monoisotopic Mass152.094963011 g/mol
    Topological Polar Surface Area45.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity127
    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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