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    CAS 55112-42-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 55112-42-0, 4-methylpiperazine-1-carbonyl chloride hydrochloride, 4-methyl-1-piperazinecarbonyl chloride hcl, 4-methylpiperazine-1-carbonyl chloride monohydrochloride, 1-piperazinecarbonyl chloride, 4-methyl-, monohydrochloride, 4-methylpiperazine-1-carbonyl chloride;hydrochloride
    Molecular Formula
    C6H12Cl2N2O
    Molecular Weight
    199.08  g/mol
    InChI Key
    WICNYNXYKZNNSN-UHFFFAOYSA-N
    FDA UNII
    7T2R5ALS8T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methylpiperazine-1-carbonyl chloride;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H
    2.1.3 InChI Key
    WICNYNXYKZNNSN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C(=O)Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    7T2R5ALS8T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 55112-42-0

    2. 4-methylpiperazine-1-carbonyl Chloride Hydrochloride

    3. 4-methyl-1-piperazinecarbonyl Chloride Hcl

    4. 4-methylpiperazine-1-carbonyl Chloride Monohydrochloride

    5. 1-piperazinecarbonyl Chloride, 4-methyl-, Monohydrochloride

    6. 4-methylpiperazine-1-carbonyl Chloride;hydrochloride

    7. N-methylpiperazin-4-carbamoyl Chloride Hydrochloride

    8. 4-methyl-1-piperazinecarbonyl Chloride, Hcl

    9. 1-chlorocarbonyl-4-methylpiperazine Hydrochloride

    10. Einecs 259-482-8

    11. 7t2r5als8t

    12. 4-methyl-1-piperazinecarbonylchloridehydrochloride

    13. Schembl321914

    14. Dtxsid80203633

    15. Wicnynxykznnsn-uhfffaoysa-n

    16. Bcp16973

    17. Geo-01914

    18. Mfcd01074875

    19. Akos015897706

    20. Ac-24406

    21. Ps-10936

    22. Ft-0640293

    23. Ft-0658732

    24. F16753

    25. 4-methylpiperazine Carbonylchloride Hydrochloride

    26. En300-1265364

    27. 1-chlorocarbonyl-4-methyl Piperazine Hydrochloride

    28. 1-chlorocarbonyl-4-methyl-piperazine Hydrochloride

    29. 4-chlorocarbonyl-1-methyl-piperazine Hydrochloride

    30. A830496

    31. N-chlorocarbonyl-n'-methylpiperazine Hydrochloride

    32. 4-methyl-l-piperazinecarbonyl Chloride Hydrochloride

    33. W-200427

    34. 4-methyl-1-piperazine Carbonyl Chloride Hydrochloride

    35. 4-methyl-l-piperazine Carbonyl Chloride Hydrochloride

    36. 4-methyl-piperazine-1-carbonyl Chloride Hydrochloride

    37. 4-methylpiperazin-1-ylcarbonyl Chloride Hydrochloride

    38. N-methylpiperazine-4-carbamoyl Chloride Hydrochloride

    39. F0001-1447

    40. N-methylpiperazin-4-carbamoylchloridehydrochloride

    41. 1-piperazinecarbonyl Chloride, 4-methyl-, Hydrochloride (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 199.08 g/mol
    Molecular Formula C6H12Cl2N2O
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area23.6
    Heavy Atom Count11
    Formal Charge0
    Complexity132
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2