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    CAS 771-91-5

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    CAS 771-91-5
    Also known as: 771-91-5, 4-[(1r,2s)-2-amino-1-hydroxypropyl]phenol, 4-hydroxynorephedrine, O6914l7189, (1r,2s)-2-amino-1-(4-hydroxyphenyl)propan-1-ol, 4-((1r,2s)-2-amino-1-hydroxypropyl)phenol
    Molecular Formula
    C9H13NO2
    Molecular Weight
    167.20  g/mol
    InChI Key
    JAYBQRKXEFDRER-RCOVLWMOSA-N
    FDA UNII
    O6914L7189
    1 2D Structure

    CAS 771-91-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
    2.1.2 InChI
    InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
    2.1.3 InChI Key
    JAYBQRKXEFDRER-RCOVLWMOSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=C(C=C1)O)O)N
    2.1.5 Isomeric SMILES
    C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    O6914L7189
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 771-91-5

    2. 4-[(1r,2s)-2-amino-1-hydroxypropyl]phenol

    3. 4-hydroxynorephedrine

    4. O6914l7189

    5. (1r,2s)-2-amino-1-(4-hydroxyphenyl)propan-1-ol

    6. 4-((1r,2s)-2-amino-1-hydroxypropyl)phenol

    7. Unii-o6914l7189

    8. (-)-4-hydroxynorephedrine

    9. Schembl2252628

    10. Chembl1160700

    11. Norephedrine, P-hydroxy-

    12. (-)-p-hydroxynorephedrine

    13. Chebi:193721

    14. Zinc154799

    15. Benzenemethanol, Alpha-(1-aminoethyl)-4-hydroxy-, (r-(r*,s*))-

    16. Benzyl Alcohol, .alpha.-(1-aminoethyl)-p-hydroxy-, (-)-erythro-

    17. 4-[(1r,2s)-2-amino-1-hydroxypropyl]-phenol

    18. 4-((2s)-2-amino-(1r)-1-hydroxypropyl)phenol

    19. 771h915

    20. (1r,2s)-1-(4-hydroxyphenyl)-2-amino-1-propanol

    21. (1r, 2s)-2-amino-1-(4-hydroxyphenyl)propan-1-ol

    22. (1r,2s)-2-amino-1-(4-hydroxyphenyl)-propan-1-ol

    23. Benzenemethanol, .alpha.-((1s)-1-aminoethyl)-4-hydroxy-, (.alpha.r)-

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 167.20 g/mol
    Molecular Formula C9H13NO2
    XLogP30.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass167.094628657 g/mol
    Monoisotopic Mass167.094628657 g/mol
    Topological Polar Surface Area66.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity133
    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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      4-Hydroxy Propiphenone

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