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    Technical details about CAS 1306763-57-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1306763-57-4

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    2D Structure
    Also known as: 1306763-57-4, 1213099-69-4, (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile-hcl, (1s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile;hydrochloride, Schembl20841450, Dtxsid00693597
    Molecular Formula
    C10H11ClN2
    Molecular Weight
    194.66  g/mol
    InChI Key
    NYCLSOKJNLLCHQ-PPHPATTJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C10H10N2.ClH/c11-6-7-2-1-3-9-8(7)4-5-10(9)12;/h1-3,10H,4-5,12H2;1H/t10-;/m0./s1
    2.1.3 InChI Key
    NYCLSOKJNLLCHQ-PPHPATTJSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC=C2C1N)C#N.Cl
    2.1.5 Isomeric SMILES
    C1CC2=C(C=CC=C2[C@H]1N)C#N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1306763-57-4

    2. 1213099-69-4

    3. (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile-hcl

    4. (1s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile;hydrochloride

    5. Schembl20841450

    6. Dtxsid00693597

    7. (1s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile Hydrochloride

    8. (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile Hcl

    9. Amy16598

    10. Mfcd16295046

    11. Akos015849560

    12. Akos015924418

    13. Gs-7234

    14. Ac-30369

    15. Db-102381

    16. Cs-0099888

    17. Y10660

    18. A901202

    19. (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrilehydrochloride

    20. (1s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile--hydrogen Chloride (1/1)

    21. 1h-indene-4-carbonitrile, 1-amino-2,3-dihydro-, Hydrochloride (1:1), (1s)-

    22. Ozanimod Intermediate;(s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile Hydrochloride

    2.3 Create Date
    2011-09-06
    3 Chemical and Physical Properties
    Molecular Weight 194.66 g/mol
    Molecular Formula C10H11ClN2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass194.0610761 g/mol
    Monoisotopic Mass194.0610761 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity215
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2