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    CAS 118864-75-8

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    CAS 118864-75-8
    Also known as: 118864-75-8, (s)-1-phenyl-1,2,3,4-tetrahydroisoquinoline, N5nz4w5rgq, (s)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline, (1s)-1,2,3,4-tetrahydro-1-phenylisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1s)-
    Molecular Formula
    C15H15N
    Molecular Weight
    209.29  g/mol
    InChI Key
    PRTRSEDVLBBFJZ-HNNXBMFYSA-N
    FDA UNII
    N5NZ4W5RGQ
    1 2D Structure

    CAS 118864-75-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
    2.1.2 InChI
    InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
    2.1.3 InChI Key
    PRTRSEDVLBBFJZ-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    C1CNC(C2=CC=CC=C21)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C1CN[C@H](C2=CC=CC=C21)C3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    N5NZ4W5RGQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 118864-75-8

    2. (s)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

    3. N5nz4w5rgq

    4. (s)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline

    5. (1s)-1,2,3,4-tetrahydro-1-phenylisoquinoline

    6. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1s)-

    7. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (s)-

    8. Mfcd08692036

    9. (1s)-1-phenyl-1,2,3,4-tetrahydro-isopquinoline

    10. Unii-n5nz4w5rgq

    11. Schembl325083

    12. Dtxsid80922796

    13. Amy37044

    14. Cs-b0308

    15. Zinc19370042

    16. Akos015889792

    17. Akos016023743

    18. As-15681

    19. Db-008987

    20. P2216

    21. 1(s)-phenyl-1,2,3,4-tetrahydroisoquinoline

    22. 1alpha-phenyl-1,2,3,4-tetrahydroisoquinoline

    23. (1s)-1-phenyl-1,2,3,4 -tetrahydroisoquinoline

    24. 864p758

    25. Q-101005

    2.4 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 209.29 g/mol
    Molecular Formula C15H15N
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass209.120449483 g/mol
    Monoisotopic Mass209.120449483 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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