loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 138113-08-3, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 138113-08-3

    Manufacturers/Suppliers

    MARKET PLACE

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 138113-08-3, 2-(7-methoxynaphthalen-1-yl)acetonitrile, (7-methoxy-1-naphthyl)acetonitrile, 2-(7-methoxy-1-naphthyl)acetonitrile, 1-naphthaleneacetonitrile, 7-methoxy-, 7-methoxy-1-naphthylmethylcyanide
    Molecular Formula
    C13H11NO
    Molecular Weight
    197.23  g/mol
    InChI Key
    PYJMGUQHJINLLD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(7-methoxynaphthalen-1-yl)acetonitrile
    2.1.2 InChI
    InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
    2.1.3 InChI Key
    PYJMGUQHJINLLD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=CC=C2CC#N)C=C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 138113-08-3

    2. 2-(7-methoxynaphthalen-1-yl)acetonitrile

    3. (7-methoxy-1-naphthyl)acetonitrile

    4. 2-(7-methoxy-1-naphthyl)acetonitrile

    5. 1-naphthaleneacetonitrile, 7-methoxy-

    6. 7-methoxy-1-naphthylmethylcyanide

    7. 7-methoxy-1-naphthaleneacetonitrile

    8. 7-methoxynaphthalene-1-acetonitrile

    9. Mfcd08704309

    10. (7-methoxynaphthalen-1-yl)acetonitrile

    11. 7-methoxy-1-naphthaleneacetinitrile

    12. Palmitelaidicacid

    13. Schembl989652

    14. Dtxsid90460472

    15. (7-methoxynaphth-1-yl)acetonitrile

    16. Act03493

    17. Bcp07368

    18. (7-methoxy-naphth-1-yl)acetonitrile

    19. Zinc22062327

    20. Akos006288808

    21. (7-methoxy-naphthalen-1-yl)acetonitrile

    22. (7-methoxy-naphthalen-1-yl)-acetonitrile

    23. Ac-24009

    24. Sy033192

    25. Ts-02792

    26. Db-001012

    27. Am20090762

    28. Cs-0097958

    29. Ft-0651955

    30. M2421

    31. A25610

    32. 113m083

    33. Q-102532

    34. 1-cyanomethyl-7-methoxynaphthalene;2-(7-methoxy-1-naphthyl)acetonitrile;7-methoxy-1-naphthaleneacetinitrile

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 197.23 g/mol
    Molecular Formula C13H11NO
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass197.084063974 g/mol
    Monoisotopic Mass197.084063974 g/mol
    Topological Polar Surface Area33 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity255
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY