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    CAS 946511-97-3
    Also known as: 946511-97-3, 2-ethylbutyl l-alaninate hydrochloride, L-alanine, 2-ethylbutyl ester, hydrochloride (1:1), Mfcd32660031, 2-ethylbutyl (2s)-2-aminopropanoate;hydrochloride, Remdesivir amino ester compound
    Molecular Formula
    C9H20ClNO2
    Molecular Weight
    209.71  g/mol
    InChI Key
    DEAGOVGXNPHPIJ-FJXQXJEOSA-N
    1 2D Structure

    CAS 946511-97-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-ethylbutyl (2S)-2-aminopropanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H19NO2.ClH/c1-4-8(5-2)6-12-9(11)7(3)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-;/m0./s1
    2.1.3 InChI Key
    DEAGOVGXNPHPIJ-FJXQXJEOSA-N
    2.1.4 Canonical SMILES
    CCC(CC)COC(=O)C(C)N.Cl
    2.1.5 Isomeric SMILES
    CCC(CC)COC(=O)[C@H](C)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 946511-97-3

    2. 2-ethylbutyl L-alaninate Hydrochloride

    3. L-alanine, 2-ethylbutyl Ester, Hydrochloride (1:1)

    4. Mfcd32660031

    5. 2-ethylbutyl (2s)-2-aminopropanoate;hydrochloride

    6. Remdesivir Amino Ester Compound

    7. Schembl1273080

    8. L-alanine 2-ethylbutyl Ester Hcl

    9. 2-ethylbutyl L-alaninate Hcl

    10. (s)-2-ethylbutyl 2-aminopropanoate Hcl

    11. L-alanine-2-ethylbutylester Hydrochloride

    12. Bs-45142

    13. Cs-0131407

    14. E1444

    15. (s)-2-ethylbutyl2-aminopropanoatehydrochloride

    16. C91696

    2.3 Create Date
    2009-10-12
    3 Chemical and Physical Properties
    Molecular Weight 209.71 g/mol
    Molecular Formula C9H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass209.1182566 g/mol
    Monoisotopic Mass209.1182566 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity133
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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                                            Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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