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    CAS 6306-52-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6306-52-1, H-val-ome.hcl, Methyl valinate hydrochloride, (s)-methyl 2-amino-3-methylbutanoate hydrochloride, L-valine methyl ester hcl, Methyl l-valinate hydrochloride
    Molecular Formula
    C6H14ClNO2
    Molecular Weight
    167.63  g/mol
    InChI Key
    KUGLDBMQKZTXPW-JEDNCBNOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
    2.1.3 InChI Key
    KUGLDBMQKZTXPW-JEDNCBNOSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)OC)N.Cl
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)OC)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6306-52-1

    2. H-val-ome.hcl

    3. Methyl Valinate Hydrochloride

    4. (s)-methyl 2-amino-3-methylbutanoate Hydrochloride

    5. L-valine Methyl Ester Hcl

    6. Methyl L-valinate Hydrochloride

    7. H-l-val-ome Hcl

    8. L-valine Methyl Ester, Hcl

    9. L-valine, Methyl Ester, Hydrochloride

    10. Valine Methyl Ester Hydrochloride

    11. H-val-ome Hydrochloride

    12. (s)-2-amino-3-methyl-butyric Acid Methyl Ester Hydrochloride

    13. Methyl (2s)-2-amino-3-methylbutanoate;hydrochloride

    14. H-val-ome Hcl

    15. L-valine Methylester Hcl

    16. L-valine Methyl-ester Hcl

    17. L-methyl Valinate Hydrochloride

    18. Methyl (2s)-2-amino-3-methylbutanoate Hydrochloride

    19. Mfcd00012497

    20. Methyl Valinate Hcl

    21. (s)-2-amino-3-methyl-butyric Acid Methyl Esterhydrochloride

    22. Einecs 228-620-9

    23. H-val-ome?cl

    24. Val-ome Hydrochloride

    25. H-val-ome. Hcl

    26. H-val-ome⋅hcl

    27. H-val-och3.hcl

    28. Schembl261172

    29. Valine Methylester Hydrochloride

    30. Valin Methyl Ester Hydrochloride

    31. Chembl1221961

    32. Dtxsid60212389

    33. L-valine Methylester Hydrochloride

    34. L-valine Methyl Ester Hydrochoride

    35. L Valine Methyl Ester Hydrochloride

    36. Act08510

    37. Bcp11286

    38. Str02995

    39. Nsc 22920

    40. (l)-valine Methyl Ester Hydrochloride

    41. (s)-valine Methyl Ester Hydrochloride

    42. Akos015845881

    43. Akos015892711

    44. Ac-6863

    45. Cs-w010793

    46. Hy-w010077

    47. Nsc 197198

    48. L-(+)-valine Methyl Ester Hydrochloride

    49. L-valine Methyl Ester Hydrochloride, 99%

    50. Db-029990

    51. Am20100557

    52. V0056

    53. M02951

    54. 306v521

    55. J-300307

    56. L-2-aminoisovaleric Acid Methyl Ester Hydrochloride

    57. Q-101859

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 167.63 g/mol
    Molecular Formula C6H14ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass167.0713064 g/mol
    Monoisotopic Mass167.0713064 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity101
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2