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    Technical details about CAS 21850-12-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 21850-12-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 21850-12-4, Octahydro-isoindole, Octahydroisoindole, Cis-octahydro-isoindole, 1h-isoindole, octahydro-, 2,3,3a,4,5,6,7,7a-octahydro-1h-isoindole
    Molecular Formula
    C8H15N
    Molecular Weight
    125.21  g/mol
    InChI Key
    ODSNARDHJFFSRH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
    2.1.2 InChI
    InChI=1S/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2
    2.1.3 InChI Key
    ODSNARDHJFFSRH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC2CNCC2C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 21850-12-4

    2. Octahydro-isoindole

    3. Octahydroisoindole

    4. Cis-octahydro-isoindole

    5. 1h-isoindole, Octahydro-

    6. 2,3,3a,4,5,6,7,7a-octahydro-1h-isoindole

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

    8. Cis-octahydroisoindole Hcl

    9. Perhydroisoindole

    10. Cis-octahydro-isoindoline

    11. Ec-000.1857

    12. Schembl258635

    13. Dtxsid60944456

    14. Albb-004713

    15. Bcp04297

    16. Waa85012

    17. Mfcd03265253

    18. Stk329072

    19. Akos005171215

    20. Ab13837

    21. Ac-1464

    22. Cs-w018719

    23. Sb33723

    24. As-13484

    25. Db-019093

    26. Db-063695

    27. Am20070530

    28. Bb 0237482

    29. Ft-0603836

    30. Ft-0658742

    31. W10079

    32. 850o124

    33. A815695

    34. J-520092

    35. Z1350579420

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 125.21 g/mol
    Molecular Formula C8H15N
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass125.120449483 g/mol
    Monoisotopic Mass125.120449483 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity88.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1