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    Technical details about CAS 123620-80-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 123620-80-4

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 123620-80-4, (1s,2r)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1s,2r)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol, (1s,2r)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol, 56571-92-7, 56571-91-6
    Molecular Formula
    C13H19NO
    Molecular Weight
    205.30  g/mol
    InChI Key
    FZVHJGJBJLFWEX-DGCLKSJQSA-N
    FDA UNII
    79R77N139L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
    2.1.2 InChI
    InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m1/s1
    2.1.3 InChI Key
    FZVHJGJBJLFWEX-DGCLKSJQSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)N2CCCC2
    2.1.5 Isomeric SMILES
    C[C@H]([C@H](C1=CC=CC=C1)O)N2CCCC2
    2.2 Other Identifiers
    2.2.1 UNII
    79R77N139L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 123620-80-4

    2. (1s,2r)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol

    3. (1s,2r)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol

    4. (1s,2r)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol

    5. 56571-92-7

    6. 56571-91-6

    7. (1s,2r)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

    8. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphas,betar)-

    9. 79r77n139l

    10. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1s,2r)-

    11. (1s,2r)-(-)-2-(1-pyrrolidyl)-1-phenylpropan-1-ol

    12. (1s,2r)-n,n-tetramethylenenorephedrine

    13. Phenylpyrrolidinylpropanol

    14. Schembl523547

    15. Unii-79r77n139l

    16. Zinc5019073

    17. Mfcd02093492

    18. Akos015840406

    19. Ac-6585

    20. Fs-2278

    21. P1375

    22. (1s,2r)-1-phenyl-2-pyrrolizino-1-propanol

    23. (-)-threo-dihydro-alpha-pyrrolidinopropiophenone

    24. A913368

    25. Q27266772

    26. (-)-threo-dihydro-.alpha.-pyrrolidinopropiophenone

    27. (1s,2r)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, 98%

    28. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (s-(r*,s*))-

    29. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (.alpha.s,.beta.r)-

    30. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (s-(r*,s*))-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 205.30 g/mol
    Molecular Formula C13H19NO
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass205.146664230 g/mol
    Monoisotopic Mass205.146664230 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity183
    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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