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    BUILDING BLOCK

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    Chemistry

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    Also known as: 83728-78-3, (2s)-2-(ethylamino)butan-1-ol, (s)-2-(ethylamino)-1-butanol, Schembl10282575, Dtxsid60654523, Zinc6411921
    Molecular Formula
    C6H15NO
    Molecular Weight
    117.19  g/mol
    InChI Key
    BMTAVLCPOPFWKR-LURJTMIESA-N
    CAS 83728-78-3
    1 2D Structure

    CAS 83728-78-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(ethylamino)butan-1-ol
    2.1.2 InChI
    InChI=1S/C6H15NO/c1-3-6(5-8)7-4-2/h6-8H,3-5H2,1-2H3/t6-/m0/s1
    2.1.3 InChI Key
    BMTAVLCPOPFWKR-LURJTMIESA-N
    2.1.4 Canonical SMILES
    CCC(CO)NCC
    2.1.5 Isomeric SMILES
    CC[C@@H](CO)NCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 83728-78-3

    2. (2s)-2-(ethylamino)butan-1-ol

    3. (s)-2-(ethylamino)-1-butanol

    4. Schembl10282575

    5. Dtxsid60654523

    6. Zinc6411921

    7. Mfcd12756178

    8. Akos006346584

    9. Am807033

    10. As-31195

    11. Cs-0210509

    12. 728e783

    2.3 Create Date
    2009-05-30
    3 Chemical and Physical Properties
    Molecular Weight 117.19 g/mol
    Molecular Formula C6H15NO
    XLogP30.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass117.115364102 g/mol
    Monoisotopic Mass117.115364102 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity47.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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