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    CAS 3399-73-3

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    CAS 3399-73-3
    Also known as: 3399-73-3, 1-cyclohexene-1-ethanamine, 2-(cyclohex-1-en-1-yl)ethanamine, Cyclohexenylethylamine, 2-(cyclohexen-1-yl)ethanamine, 1-cyclohexen-1-ylethylamine
    Molecular Formula
    C8H15N
    Molecular Weight
    125.21  g/mol
    InChI Key
    IUDMXOOVKMKODN-UHFFFAOYSA-N
    FDA UNII
    88S899CWZ5
    1 2D Structure

    CAS 3399-73-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(cyclohexen-1-yl)ethanamine
    2.1.2 InChI
    InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
    2.1.3 InChI Key
    IUDMXOOVKMKODN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(=CC1)CCN
    2.2 Other Identifiers
    2.2.1 UNII
    88S899CWZ5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3399-73-3

    2. 1-cyclohexene-1-ethanamine

    3. 2-(cyclohex-1-en-1-yl)ethanamine

    4. Cyclohexenylethylamine

    5. 2-(cyclohexen-1-yl)ethanamine

    6. 1-cyclohexen-1-ylethylamine

    7. 2-(cyclohex-1-en-1-yl)ethan-1-amine

    8. Cyclohex-1-ene-1-ethylamine

    9. 2-(1-cyclohexen-1-yl)ethylamine

    10. 88s899cwz5

    11. .beta.-(1-cyclohexenyl)ethylamine

    12. Nsc-26453

    13. Beta-(1-cyclohexenyl)ethylamine

    14. Einecs 222-267-4

    15. Nsc 26453

    16. Chea

    17. 2-cyclohexenylethanamine

    18. 2-cyclohexenyl Ethylamine

    19. 2-aminoethyl-1-cyclohexene

    20. Schembl132152

    21. Unii-88s899cwz5

    22. 2-(1-cyclohexenyl)-ethylamine

    23. 2-(cyclohexen-1-yl)ethylamine

    24. Dtxsid1063011

    25. Amy14247

    26. Nsc26453

    27. Str04086

    28. Zinc4261977

    29. 1-(2-aminoethyl)cyclohexene

    30. Mfcd00012058

    31. Stl141069

    32. 2-(1-cyclohexen-1-yl)ethanamine #

    33. 2-(1-cyclohexenyl)ethylamine, 97%

    34. Akos000120455

    35. Db-023504

    36. Ft-0608367

    37. D87820

    38. W-109892

    39. F2190-0383

    40. [1,2-bis(diphenylphosphino)ethane] Palladium(ii) Dichloride

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 125.21 g/mol
    Molecular Formula C8H15N
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass125.120449483 g/mol
    Monoisotopic Mass125.120449483 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity105
    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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