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    Technical details about CAS 414910-15-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 414910-15-9

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 414910-15-9, Tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate, Mfcd03930967, Schembl2048225, Tert-butyl 4-cyclopropanecarbonylpiperazine-1-carboxylate, Amy5310
    Molecular Formula
    C13H22N2O3
    Molecular Weight
    254.33  g/mol
    InChI Key
    IREXWNMKXDFMFW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3
    2.1.3 InChI Key
    IREXWNMKXDFMFW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 414910-15-9

    2. Tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate

    3. Mfcd03930967

    4. Schembl2048225

    5. Tert-butyl 4-cyclopropanecarbonylpiperazine-1-carboxylate

    6. Amy5310

    7. Dtxsid10359536

    8. Tert-butyl4-(cyclopropanecarbonyl)piperazine-1-carboxylate

    9. Zinc586747

    10. Bcp17328

    11. Cs-m1240

    12. Stk124130

    13. Akos000494341

    14. Ac-30401

    15. Da-22249

    16. Ds-16338

    17. Sy115466

    18. (4-boc-1-piperazinyl)(cyclopropyl)methanone

    19. Ft-0725115

    20. F31269

    21. A873050

    22. 1-tertbutoxycarbonyl-4-(cyclopropanecarbonyl) Piperazine

    23. T-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

    24. Tert-butyl 4-(cyclopropylcarbonyl)piperazine-1-carboxylate

    25. 4-cyclopropanoyl-piperazine-1-carboxylic Acid, Tert-butyl Ester

    26. Tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate, Aldrichcpr

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 254.33 g/mol
    Molecular Formula C13H22N2O3
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass254.16304257 g/mol
    Monoisotopic Mass254.16304257 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity337
    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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