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    87745-27-5 manufacturers and suppliers on PharmaCompass

    Client Email Product

    87745-27-5

    Manufacturers/Suppliers

    PharmaCompass
    87745-27-5
    Also known as: 87745-27-5, H-tyr-ol.hcl, (s)-4-(2-amino-3-hydroxypropyl)phenol hydrochloride, H-tyr-ol, 4-[(2s)-2-amino-3-hydroxypropyl]phenol;hydrochloride, Mfcd00038953
    Molecular Formula
    C9H14ClNO2
    Molecular Weight
    203.66  g/mol
    InChI Key
    PNGCRFWYSRUQTB-QRPNPIFTSA-N
    FDA UNII
    A482EX24NS
    1 2D Structure

    87745-27-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(2S)-2-amino-3-hydroxypropyl]phenol;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H13NO2.ClH/c10-8(6-11)5-7-1-3-9(12)4-2-7;/h1-4,8,11-12H,5-6,10H2;1H/t8-;/m0./s1
    2.1.3 InChI Key
    PNGCRFWYSRUQTB-QRPNPIFTSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CC(CO)N)O.Cl
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C[C@@H](CO)N)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    A482EX24NS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 87745-27-5

    2. H-tyr-ol.hcl

    3. (s)-4-(2-amino-3-hydroxypropyl)phenol Hydrochloride

    4. H-tyr-ol

    5. 4-[(2s)-2-amino-3-hydroxypropyl]phenol;hydrochloride

    6. Mfcd00038953

    7. L-tyrosinol Hcl

    8. H-tyr-ol Hcl

    9. 4-[(2s)-2-amino-3-hydroxypropyl]phenol Hydrochloride

    10. Schembl1168215

    11. L-tyrosinol Hydrochloride, 98%

    12. Pngcrfwysruqtb-qrpnpiftsa-n

    13. Akos015849170

    14. Akos015889939

    15. Cs-w015445

    16. Ds-4342

    17. En300-56285

    18. T-9400

    19. A842359

    20. (s)-4-(2-amino-3 -hydroxypropyl)phenol Hydrochloride

    21. 4-((s)-2-amino-3-hydroxy-propyl)-phenol Hydrochloride

    22. Z203038576

    23. (s)-2-amino-3-(4-hydroxyphenyl)-1-propanol Hydrochloride

    2.4 Create Date
    2007-07-12
    3 Chemical and Physical Properties
    Molecular Weight 203.66 g/mol
    Molecular Formula C9H14ClNO2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area66.5
    Heavy Atom Count13
    Formal Charge0
    Complexity122
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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