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    Technical details about CAS 864825-23-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 864825-23-0

    BUILDING BLOCK

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    2D Structure
    Also known as: 864825-23-0, (s)-1-(5-phenyl-1h-imidazol-2-yl)ethanamine, (1s)-1-(5-phenyl-1h-imidazol-2-yl)ethanamine, (1s)-1-(5-phenyl-1h-imidazol-2-yl)ethan-1-amine, (s)-1-(4-phenyl-2-imidazolyl)ethanamine, Schembl12506974
    Molecular Formula
    C11H13N3
    Molecular Weight
    187.24  g/mol
    InChI Key
    XQFMQMXJXWTGON-QMMMGPOBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine
    2.1.2 InChI
    InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/t8-/m0/s1
    2.1.3 InChI Key
    XQFMQMXJXWTGON-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    CC(C1=NC=C(N1)C2=CC=CC=C2)N
    2.1.5 Isomeric SMILES
    C[C@@H](C1=NC=C(N1)C2=CC=CC=C2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 864825-23-0

    2. (s)-1-(5-phenyl-1h-imidazol-2-yl)ethanamine

    3. (1s)-1-(5-phenyl-1h-imidazol-2-yl)ethanamine

    4. (1s)-1-(5-phenyl-1h-imidazol-2-yl)ethan-1-amine

    5. (s)-1-(4-phenyl-2-imidazolyl)ethanamine

    6. Schembl12506974

    7. Schembl18480825

    8. Dtxsid20680202

    9. Amy19507

    10. Cs-m3113

    11. Mfcd22689971

    12. Zinc95483613

    13. Akos015904223

    14. Akos016004271

    15. Akos025394876

    16. Ac-30968

    17. As-19955

    18. A854834

    19. 1h-imidazole-2-methanamine,

    20. A-methyl-5-phenyl-, (

    21. As)-

    2.3 Create Date
    2011-05-20
    3 Chemical and Physical Properties
    Molecular Weight 187.24 g/mol
    Molecular Formula C11H13N3
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass187.110947427 g/mol
    Monoisotopic Mass187.110947427 g/mol
    Topological Polar Surface Area54.7 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity177
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1