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    Chemistry

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    Also known as: 1073666-54-2, Refchem:401368, 866-777-0, (s)-3-aminobutanenitrile hydrochloride, (s)-3-aminobutanenitrile hcl, Mfcd18651598
    Molecular Formula
    C4H9ClN2
    Molecular Weight
    120.58  g/mol
    InChI Key
    YUOMYYHJZHVWDF-WCCKRBBISA-N
    CAS 1073666-54-2
    1 2D Structure

    CAS 1073666-54-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-aminobutanenitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C4H8N2.ClH/c1-4(6)2-3-5;/h4H,2,6H2,1H3;1H/t4-;/m0./s1
    2.1.3 InChI Key
    YUOMYYHJZHVWDF-WCCKRBBISA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1073666-54-2

    2. Refchem:401368

    3. 866-777-0

    4. (s)-3-aminobutanenitrile Hydrochloride

    5. (s)-3-aminobutanenitrile Hcl

    6. Mfcd18651598

    7. (3s)-3-aminobutanenitrile;hydrochloride

    8. Schembl21175423

    9. (s)-3-aminobutanenitrilehydrochloride

    10. Akos025396650

    11. As-30133

    12. Sy121969

    13. Ds-019335

    14. Cs-0127884

    15. En300-7423116

    16. F497793

    2.3 Create Date
    2015-10-12
    3 Chemical and Physical Properties
    Molecular Weight 120.58 g/mol
    Molecular Formula C4H9ClN2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area49.8
    Heavy Atom Count7
    Formal Charge0
    Complexity68.9
    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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