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    Dl-Histidine Monohydrochloride Monohydrate

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 123333-71-1, Dl-histidine monohydrochloride monohydrate, 2-amino-3-(1h-imidazol-4-yl)propanoic acid hydrochloride hydrate, 2-amino-3-(1h-imidazol-5-yl)propanoic acid;hydrate;hydrochloride, Dl-histidine hydrochloride 1-hydrate, L-histidine hcl monohydrate
    Molecular Formula
    C6H12ClN3O3
    Molecular Weight
    209.63  g/mol
    InChI Key
    CMXXUDSWGMGYLZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2
    2.1.3 InChI Key
    CMXXUDSWGMGYLZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(NC=N1)CC(C(=O)O)N.O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 123333-71-1

    2. Dl-histidine Monohydrochloride Monohydrate

    3. 2-amino-3-(1h-imidazol-4-yl)propanoic Acid Hydrochloride Hydrate

    4. 2-amino-3-(1h-imidazol-5-yl)propanoic Acid;hydrate;hydrochloride

    5. Dl-histidine Hydrochloride 1-hydrate

    6. L-histidine Hcl Monohydrate

    7. Histidine, Chloride, Hydrate

    8. Mfcd00151028

    9. D,l-his.hcl.h2o

    10. Schembl50269

    11. Ccris 7814

    12. D-histidine Hydrochloride Hydrate

    13. Dtxsid10924465

    14. Dl-histidine Hydrochloride Hydrate

    15. L-histidine, Hydrochloride, Hydrate

    16. Dl-histidine Hydrochloride Monohydrate

    17. Akos016890704

    18. Cs-w015138

    19. Dl-histidinemonohydrochloridemonohydrate

    20. As-14792

    21. Db-041722

    22. Dl-histidine, Monohydrochloride, Monohydrate

    23. Ft-0627600

    24. Ft-0643003

    25. A805051

    26. Dl-histidine Monohydrochloride Monohydrate, >=99% (tlc)

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 209.63 g/mol
    Molecular Formula C6H12ClN3O3
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass209.0567189 g/mol
    Monoisotopic Mass209.0567189 g/mol
    Topological Polar Surface Area93 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3