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    Technical details about Dl-Theanine, learn more about the structure, uses, toxicity, action, side effects and more

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    Dl-Theanine

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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    2D Structure
    1. Also known as: Dl-theanine, 34271-54-0, N-ethylglutamine, Mfcd08460601, L-glutamic acid gamma-ethyl amide;ngamma-ethyl-l-glutamine, Mfcd00059653
    Molecular Formula
    C7H14N2O3
    Molecular Weight
    174.20  g/mol
    InChI Key
    DATAGRPVKZEWHA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-(ethylamino)-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
    2.1.3 InChI Key
    DATAGRPVKZEWHA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCNC(=O)CCC(C(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dl-theanine

    2. 34271-54-0

    3. N-ethylglutamine

    4. Mfcd08460601

    5. L-glutamic Acid Gamma-ethyl Amide;ngamma-ethyl-l-glutamine

    6. Mfcd00059653

    7. L-theanin

    8. Nsc21308

    9. L-theanine (synthetic)

    10. 2-amino-5-(ethylamino)-5-oxopentanoicacid

    11. Schembl290430

    12. (2s)-2-azaniumyl-5-(ethylamino)-5-oxopentanoate

    13. Chembl4303298

    14. Dtxsid20863098

    15. Dl-theanine (h-dl-gln(et)-oh)

    16. Ac9268

    17. Akos006230087

    18. Am82647

    19. Ncgc00095702-01

    20. Ac-23977

    21. Ls-13325

    22. Sy006013

    23. Sy250932

    24. Db-047911

    25. Ft-0628022

    26. Ft-0656318

    27. Ft-0695774

    28. 271t540

    29. A822145

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 174.20 g/mol
    Molecular Formula C7H14N2O3
    XLogP3-3.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass174.10044231 g/mol
    Monoisotopic Mass174.10044231 g/mol
    Topological Polar Surface Area92.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity170
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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