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    Technical details about CAS 115619-00-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 115619-00-6

    BUILDING BLOCK

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    2D Structure
    Also known as: 115619-00-6, Piperazine, 1-ethyl-4-(4-nitrophenyl)-, Mfcd00614372, 1-ethyl-4-(4-nitro-phenyl)-piperazine, Cbmicro_027169, Oprea1_501624
    Molecular Formula
    C12H17N3O2
    Molecular Weight
    235.28  g/mol
    InChI Key
    XEWICNRVCQLKIG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-ethyl-4-(4-nitrophenyl)piperazine
    2.1.2 InChI
    InChI=1S/C12H17N3O2/c1-2-13-7-9-14(10-8-13)11-3-5-12(6-4-11)15(16)17/h3-6H,2,7-10H2,1H3
    2.1.3 InChI Key
    XEWICNRVCQLKIG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 115619-00-6

    2. Piperazine, 1-ethyl-4-(4-nitrophenyl)-

    3. Mfcd00614372

    4. 1-ethyl-4-(4-nitro-phenyl)-piperazine

    5. Cbmicro_027169

    6. Oprea1_501624

    7. Schembl374222

    8. Chembl4636455

    9. Dtxsid10386281

    10. Xewicnrvcqlkig-uhfffaoysa-n

    11. Amy10199

    12. 4-ethyl-1-(4-nitrophenyl)piperazine

    13. Akos000541387

    14. Cs-w002646

    15. Sy031413

    16. Bim-0026922.p001

    17. Eu-0067216

    18. Ft-0657524

    19. 5r-1529

    20. A803459

    21. Sr-01000392674

    22. Sr-01000392674-1

    2.2.2 Other Synonyms

    1. 115619-00-6

    2. Piperazine, 1-ethyl-4-(4-nitrophenyl)-

    3. 1-ethyl-4-(4-nitro-phenyl)-piperazine

    2.3 Create Date
    2005-07-28
    3 Chemical and Physical Properties
    Molecular Weight 235.28 g/mol
    Molecular Formula C12H17N3O2
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52.3
    Heavy Atom Count17
    Formal Charge0
    Complexity251
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1