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    Chemistry

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    Also known as: 94-44-0, Benzyl pyridine-3-carboxylate, Nicotinic acid benzyl ester, Rubriment, Pycaril, Pykaryl
    Molecular Formula
    C13H11NO2
    Molecular Weight
    213.23  g/mol
    InChI Key
    KVYGGMBOZFWZBQ-UHFFFAOYSA-N
    FDA UNII
    S497LCF9C9
    Benzyl Nicotinate
    1 2D Structure

    Benzyl Nicotinate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl pyridine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
    2.1.3 InChI Key
    KVYGGMBOZFWZBQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    S497LCF9C9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nicotinic Acid Benzyl Ester

    2. Nicotinic Acid Benzyl Ester, Hexafluorosilicate (2-) (2:1)

    3. Pyridine-3-carboxylic Acid Benzyl Ester

    2.3.2 Depositor-Supplied Synonyms

    1. 94-44-0

    2. Benzyl Pyridine-3-carboxylate

    3. Nicotinic Acid Benzyl Ester

    4. Rubriment

    5. Pycaril

    6. Pykaryl

    7. Niacin Benzyl Ester

    8. 3-pyridinecarboxylic Acid, Phenylmethyl Ester

    9. Benzyl Nicotinate [jan]

    10. Nicotinic Acid, Benzyl Ester

    11. Phenylmethyl 3-pyridinecarboxylate

    12. Estru Benzylowego Kwasu Nikotynowego

    13. S497lcf9c9

    14. Chebi:31268

    15. Mfcd00023584

    16. Ncgc00166105-01

    17. Benzyl Nicotinate (jan)

    18. Benzylis Nicotinas

    19. Nicotinsaeurebenzylester

    20. Benzylnicotinate

    21. Pyridin-3-carbonsaeurebenzylester

    22. Einecs 202-332-3

    23. Brn 0159169

    24. Unii-s497lcf9c9

    25. Estru Benzylowego Kwasu Nikotynowego [polish]

    26. Nicotinic Acid Benzyl

    27. 4eh5

    28. 3-pyridinecarboxylic Acid Phenylmethyl Ester

    29. Benzylpyridine-3-carboxylate

    30. Dsstox_cid_26542

    31. Dsstox_rid_81706

    32. Dsstox_gsid_46542

    33. Schembl24600

    34. Mls004773910

    35. Chembl209744

    36. Benzyl Nicotinate [inci]

    37. Dtxsid7046542

    38. Kvyggmbozfwzbq-uhfffaoysa-

    39. Benzyl Nicotinate [mart.]

    40. Hms1716k12

    41. Nicotinic Acid, Phenylmethyl Ester

    42. Zinc391816

    43. Benzyl Nicotinate [who-dd]

    44. Cs-b1730

    45. Hy-b1555

    46. Tox21_112318

    47. Akos001089628

    48. Benzyl Nicotinate, >=98.0% (gc)

    49. Ds-6445

    50. Cas-94-44-0

    51. Pyridine-3-carboxylic Acid Benzyl Ester

    52. Ncgc00166105-02

    53. Ncgc00166105-03

    54. Ncgc00166105-04

    55. Nicotinic Acid Benzyl Ester [mi]

    56. Ac-13029

    57. Smr001550568

    58. Sy033421

    59. Ft-0622777

    60. N0083

    61. A23904

    62. D01419

    63. D77312

    64. Ab01328141-02

    65. Sr-01000940939

    66. Q3876608

    67. Sr-01000940939-2

    68. W-100195

    69. Benzyl Nicotinate, Pharmaceutical Secondary Standard; Certified Reference Material

    70. 0om

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 213.23 g/mol
    Molecular Formula C13H11NO2
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass213.078978594 g/mol
    Monoisotopic Mass213.078978594 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity224
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    20-Jan-2021
    22-Oct-2024
    KGS
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    Average Price (USD/KGS)

    Number of Transactions

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    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

    Importing Country Total Quantity
    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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