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    Technical details about CAS 161829-92-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 161829-92-1

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    2D Structure
    1. Also known as: 161829-92-1, Cis-octahydroisoindole hydrochloride, Cis-hexahydroisoindoline hydrogen chloride, Cis-hexahydroisoindole, hcl, (3ar,7as)-octahydro-1h-isoindole hydrochloride, 1h-isoindole, octahydro-, hydrochloride, (3ar,7as)-rel-
    Molecular Formula
    C8H16ClN
    Molecular Weight
    161.67  g/mol
    InChI Key
    CLQIZUYXKFTUEB-KVZVIFLMSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H/t7-,8+;
    2.1.3 InChI Key
    CLQIZUYXKFTUEB-KVZVIFLMSA-N
    2.1.4 Canonical SMILES
    C1CCC2CNCC2C1.Cl
    2.1.5 Isomeric SMILES
    C1CC[C@H]2CNC[C@H]2C1.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 161829-92-1

    2. Cis-octahydroisoindole Hydrochloride

    3. Cis-hexahydroisoindoline Hydrogen Chloride

    4. Cis-hexahydroisoindole, Hcl

    5. (3ar,7as)-octahydro-1h-isoindole Hydrochloride

    6. 1h-isoindole, Octahydro-, Hydrochloride, (3ar,7as)-rel-

    7. (3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-isoindole;hydrochloride

    8. Cis-octahydroisoindole Hcl

    9. 2097437-01-7

    10. Mfcd09026400

    11. Schembl21460172

    12. Dtxsid40670009

    13. Ac7755

    14. Akos015915066

    15. (3ar,7as)-octahydro-1h-isoindole Hcl

    16. Ac-24415

    17. Ds-15518

    18. Cs-0145443

    19. (3ar,7as)-octahydro-1h-isoindolehydrochloride

    20. 470o991

    21. A883054

    22. Rel-(3ar,7as)-octahydro-1h-isoindole Hydrochloride

    23. Z1198182421

    24. (3ar,7as)-octahydro-1h-isoindole--hydrogen Chloride (1/1)

    25. (3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-isoindole Hydrochloride

    2.3 Create Date
    2010-05-14
    3 Chemical and Physical Properties
    Molecular Weight 161.67 g/mol
    Molecular Formula C8H16ClN
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass161.0971272 g/mol
    Monoisotopic Mass161.0971272 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity88.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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