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    Technical details about CAS 505-66-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 505-66-8

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 505-66-8, 1,4-diazepane, 1,4-diazacycloheptane, 1h-1,4-diazepine, hexahydro-, Hexahydro-1,4-diazepine, [1,4]diazepane
    Molecular Formula
    C5H12N2
    Molecular Weight
    100.16  g/mol
    InChI Key
    FQUYSHZXSKYCSY-UHFFFAOYSA-N
    FDA UNII
    95CL167W8T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,4-diazepane
    2.1.2 InChI
    InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
    2.1.3 InChI Key
    FQUYSHZXSKYCSY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCNC1
    2.2 Other Identifiers
    2.2.1 UNII
    95CL167W8T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,4-diazepane

    2.3.2 Depositor-Supplied Synonyms

    1. 505-66-8

    2. 1,4-diazepane

    3. 1,4-diazacycloheptane

    4. 1h-1,4-diazepine, Hexahydro-

    5. Hexahydro-1,4-diazepine

    6. [1,4]diazepane

    7. Perhydro-1,4-diazepine

    8. Trimethyleneethylenediamine

    9. Hexahydro-1h-1,4-diazepine

    10. 1,4-diazepan

    11. 95cl167w8t

    12. 129549-81-1

    13. Brn 0102711

    14. Einecs 208-016-1

    15. Mfcd00006933

    16. Homopiperizine

    17. Homopiperzine

    18. Homopiperazine;

    19. Unii-95cl167w8t

    20. [1.4]diazepan

    21. [1,4]-diazepane

    22. 1,4-diazepane #

    23. 1,4-perhydrodiazepine

    24. Homopiperazine, 98%

    25. Hexahydro-1h-4-diazepine

    26. Perhydro-[1,4]-diazepine

    27. Schembl34142

    28. Hexahydro-2h-1,4-diazepine

    29. 5-23-03-00240 (beilstein Handbook Reference)

    30. Dtxsid1060130

    31. Bcp15067

    32. Str02277

    33. Stl197515

    34. Zinc19230128

    35. Akos000119722

    36. Ac-4548

    37. Cs-w007768

    38. Lf-0555

    39. 501944-12-3

    40. Am100887

    41. Db-007557

    42. Ft-0600442

    43. Ft-0660667

    44. Ft-0688601

    45. H0572

    46. Homopiperazine, Technical, >=98.0% (nt)

    47. 2,3,4,5,6,7-hexahydro-1h-1,4-diazepine

    48. F10906

    49. A828180

    50. Q-101030

    51. Q27271776

    52. F0001-1316

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 100.16 g/mol
    Molecular Formula C5H12N2
    XLogP3-0.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass100.100048391 g/mol
    Monoisotopic Mass100.100048391 g/mol
    Topological Polar Surface Area24.1 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity39.3
    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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