loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 591769-05-0, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 591769-05-0

    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: 591769-05-0, (e)-3-cyclopentylprop-2-enenitrile, (e)-3-cyclopentylacrylonitrile, 3-cyclopentylprop-2-enenitrile, (2e)-3-cyclopentylprop-2-enenitrile, 1236033-37-6
    Molecular Formula
    C8H11N
    Molecular Weight
    121.18  g/mol
    InChI Key
    VMELXYJYSXXORF-ZZXKWVIFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-3-cyclopentylprop-2-enenitrile
    2.1.2 InChI
    InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
    2.1.3 InChI Key
    VMELXYJYSXXORF-ZZXKWVIFSA-N
    2.1.4 Canonical SMILES
    C1CCC(C1)C=CC#N
    2.1.5 Isomeric SMILES
    C1CCC(C1)/C=C/C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 591769-05-0

    2. (e)-3-cyclopentylprop-2-enenitrile

    3. (e)-3-cyclopentylacrylonitrile

    4. 3-cyclopentylprop-2-enenitrile

    5. (2e)-3-cyclopentylprop-2-enenitrile

    6. 1236033-37-6

    7. Mfcd11857755

    8. 3-cyyclopentylacrylonitrile

    9. 3-cyclopentyl-acrylonitrile

    10. Schembl99596

    11. (2e)-3-cyclopentylacrylonitrile

    12. Amy1240

    13. Dtxsid40613678

    14. 3-(cyclopentyl)prop-2-enenitrile

    15. Vmelxyjysxxorf-zzxkwvifsa-n

    16. Bcp15525

    17. 3-cyclopentylacrylonitrile, Aldrichcpr

    18. Akos011598462

    19. Ds-8986

    20. Trans-3-cyclopentylacrylonitrile

    21. Ls-13433

    22. Db-092460

    23. Cs-0008245

    24. P20369

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 121.18 g/mol
    Molecular Formula C8H11N
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area23.8
    Heavy Atom Count9
    Formal Charge0
    Complexity143
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY