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    CAS 2235-00-9

    PharmaCompass
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    2D Structure
    Also known as: 1-vinylazepan-2-one, 2235-00-9, 1-ethenylazepan-2-one, N-vinyl-epsilon-caprolactam, 2h-azepin-2-one, 1-ethenylhexahydro-, 25189-83-7
    Molecular Formula
    C8H13NO
    Molecular Weight
    139.19  g/mol
    InChI Key
    JWYVGKFDLWWQJX-UHFFFAOYSA-N
    FDA UNII
    KFC10CY9UP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-ethenylazepan-2-one
    2.1.2 InChI
    InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
    2.1.3 InChI Key
    JWYVGKFDLWWQJX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=CN1CCCCCC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    KFC10CY9UP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Oligo(n-vinylcaprolactam)

    2. Poly(n-vinylcaprolactam)

    3. Poly-n-vinylcaprolactam

    2.3.2 Depositor-Supplied Synonyms

    1. 1-vinylazepan-2-one

    2. 2235-00-9

    3. 1-ethenylazepan-2-one

    4. N-vinyl-epsilon-caprolactam

    5. 2h-azepin-2-one, 1-ethenylhexahydro-

    6. 25189-83-7

    7. N-vinyl Caprolactam

    8. 2h-azepin-2-one, 1-ethenylhexahydro-, Homopolymer

    9. Kfc10cy9up

    10. Dtxsid1041423

    11. Poly-n-vinylcaprolactam

    12. 1-vinylhexahydro-2h-azepin-2-one

    13. Poly(n-vinylcaprolactam)

    14. Oligo(n-vinylcaprolactam)

    15. 1-ethenylhexahydro-2h-azepin-2-one

    16. Unii-kfc10cy9up

    17. Einecs 218-787-6

    18. N-vinyl-e-caprolactam

    19. V-cap Rc

    20. 1-vinylcaprolactam

    21. N-vinyl-micro-caprolactam

    22. N-vinylcaprolactam, 98%

    23. Ec 218-787-6

    24. 1-vinylperhydroazepin-2-one

    25. Dsstox_cid_21423

    26. Dsstox_rid_79727

    27. N-vinylazepan-2-one

    28. Dsstox_gsid_41423

    29. Schembl26239

    30. N-vinyl-.epsilon.-caprolactam

    31. 1-vinyl-perhydro-azepin-2-one

    32. Vinyl Caprolactam (vcl)

    33. Chembl3188330

    34. Zinc395596

    35. N-vinyl Caprolactam [inci]

    36. Caa23500

    37. Tox21_301124

    38. Mfcd00080693

    39. Akos009156746

    40. Ncgc00248298-01

    41. Ncgc00255023-01

    42. 1-vinylhexahydro-2h-azepin-2-one;1-ethenylazepan-2-one;2h-azepin-2-one, 1-ethenylhexahydro-;2h-azepin-2-one, Hexahydro-1-vinyl-;1-vinylazepan-2-one;1-vinylhexahydro-2h-azepin-2-one 1-ethenylazepan-2-one 2h-azepin-2-one, 1-ethenylhexahydro- 2h-azepin-2-one, Hexahydro-1-vinyl- 1-vinylazepan-2-one

    43. Ac-14390

    44. As-57151

    45. Cas-2235-00-9

    46. Cs-0077097

    47. Ft-0768040

    48. V0073

    49. 2h-azepin-2-one, Hexahydro-1-vinyl-

    50. E78936

    51. A878587

    52. Q-101292

    53. Q15712394

    54. N-vinyl-epsilon-caprolactam (stabilized With Ho-tempo)

    55. N-vinylcaprolactam; 1-ethenylazepan-2-one; 1-vinylhexahydro-2h-azepin-2-one; 1-ethenylhexahydro-2h-azepin-2-one

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 139.19 g/mol
    Molecular Formula C8H13NO
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass139.099714038 g/mol
    Monoisotopic Mass139.099714038 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity142
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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