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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 7337-45-3, Borane t-butylamine, T-butylamine.borane, Borane-tert-butylamine, Tert-butylamine-borane, Gkfjedwzqzkyhv-uhfffaoysa-n
    Molecular Formula
    C4H11BN
    Molecular Weight
    83.95  g/mol
    InChI Key
    PVYPHUYXKVVURH-UHFFFAOYSA-N
    CAS 7337-45-3
    1 2D Structure

    CAS 7337-45-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C4H11N.B/c1-4(2,3)5;/h5H2,1-3H3;
    2.1.2 InChI Key
    PVYPHUYXKVVURH-UHFFFAOYSA-N
    2.1.3 Canonical SMILES
    [B].CC(C)(C)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 7337-45-3

    2. Borane T-butylamine

    3. T-butylamine.borane

    4. Borane-tert-butylamine

    5. Tert-butylamine-borane

    6. Gkfjedwzqzkyhv-uhfffaoysa-n

    7. Amy14898

    8. Mfcd00075635

    9. Akos015833621

    10. B1264

    11. Ft-0623163

    12. F14004

    13. J-519924

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 83.95 g/mol
    Molecular Formula C4H11BN
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26
    Heavy Atom Count6
    Formal Charge0
    Complexity25.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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