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    CAS 151213-40-0
    Also known as: 151213-40-0, (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine, (s,s)-2,8-diazabicyclo [4,3,0]nonane, (s,s)-2,8-diazabicyclo[4.3.0]nonane, 151213-42-2, (1s,6s)-2,8-diazabicyclo[4.3.0]nonane
    Molecular Formula
    C7H14N2
    Molecular Weight
    126.20  g/mol
    InChI Key
    KSCPLKVBWDOSAI-NKWVEPMBSA-N
    1 2D Structure

    CAS 151213-40-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
    2.1.2 InChI
    InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m0/s1
    2.1.3 InChI Key
    KSCPLKVBWDOSAI-NKWVEPMBSA-N
    2.1.4 Canonical SMILES
    C1CC2CNCC2NC1
    2.1.5 Isomeric SMILES
    C1C[C@H]2CNC[C@H]2NC1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 151213-40-0

    2. (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine

    3. (s,s)-2,8-diazabicyclo [4,3,0]nonane

    4. (s,s)-2,8-diazabicyclo[4.3.0]nonane

    5. 151213-42-2

    6. (1s,6s)-2,8-diazabicyclo[4.3.0]nonane

    7. (4as,7as)-2,3,4,4a,5,6,7,7a-octahydro-1h-pyrrolo[3,4-b]pyridine

    8. 1h-pyrrolo[3,4-b]pyridine, Octahydro-, (4as,7as)-

    9. [s,s]-2,8-diazabicyclo[4,3,0]nonane

    10. (4as,7as)-1h-octahydropyrrolo[3,4-b]pyridine

    11. Mfcd08458306

    12. Schembl606385

    13. Chembl4519880

    14. Amy30084

    15. Bcp28309

    16. Ac-313

    17. Fd6047

    18. Zinc38338210

    19. Cis-2,8-diazabicyclo[4.3.0]nonane

    20. Akos015854365

    21. Cs-w013491

    22. Ac-24293

    23. As-13398

    24. D4210

    25. En300-84574

    26. 213d400

    27. A809136

    28. (1s,6s)-2,8-diazabicyclo[4.3.0]nonane, 97%

    29. J-520093

    30. Octahydro-pyrrolo[3,4-b]pyridine;(s,s)-2,8-diazabicyclo [4,3,0]nonane

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 126.20 g/mol
    Molecular Formula C7H14N2
    XLogP30
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass126.115698455 g/mol
    Monoisotopic Mass126.115698455 g/mol
    Topological Polar Surface Area24.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity103
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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