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 120511-72-0, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 120511-72-0

    Manufacturers/Suppliers

    MARKET PLACE

    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: 120511-72-0, 3,5-bis(2-cyanoprop-2-yl)toluene, 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile, 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropanenitrile), Anastrozole 5-methyl analog, 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropionitrile)
    Molecular Formula
    C15H18N2
    Molecular Weight
    226.32  g/mol
    InChI Key
    SJECEXNMZXMXNE-UHFFFAOYSA-N
    FDA UNII
    3E89N64V9Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
    2.1.2 InChI
    InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3
    2.1.3 InChI Key
    SJECEXNMZXMXNE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC(=C1)C(C)(C)C#N)C(C)(C)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    3E89N64V9Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 120511-72-0

    2. 3,5-bis(2-cyanoprop-2-yl)toluene

    3. 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile

    4. 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropanenitrile)

    5. Anastrozole 5-methyl Analog

    6. 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropionitrile)

    7. 3e89n64v9z

    8. 2,2'-(5-methyl-1,3-phenylene)-di-(2-methylpropionitrile)

    9. Anastrozole Related Compound A [usp-rs]

    10. 2,2'-(5-methylbenzene-1,3-diyl)bis(2-methylpropanenitrile)

    11. 2,2,2'2'-(5-methyl-1,3-phenylene)-dimethyl-propionitrile

    12. Alpha,alpha,alpha',alpha'-tetramethyl-5-methyl-1,3-benzenediacetonitrile

    13. Anastrozole Related Compound A

    14. Anastrozole Impurity I

    15. Anastrozole Impurity H [ep]

    16. Unii-3e89n64v9z

    17. Schembl1172829

    18. Amy3798

    19. Dtxsid40581005

    20. Alpha,alpha,alpha',alpha',5-pentamethyl-1,3 Benzenediacetonitrile

    21. Anastrozole 5-methyl Analog [usp]

    22. Bcp21467

    23. Cs-b0753

    24. Bbl101236

    25. Mfcd08062446

    26. Stl555032

    27. Zinc21985858

    28. Anastrozole Related Compound A [usp]

    29. Akos005257888

    30. Ac-6803

    31. 3,5-bis(1-cyano-1-methylethyl)toluene

    32. As-13156

    33. Db-011110

    34. Anastrozole Impurity H [ep Impurity]

    35. Ft-0642939

    36. 11m720

    37. F12199

    38. A804525

    39. Anastrozole 5-methyl Analog [usp Impurity]

    40. Q-100986

    41. Anastrozole Related Compound A [usp Impurity]

    42. 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropiononitrile)

    43. 1,3-benzenediacetonitrile, Alpha1,alpha1,alpha3,alpha3,5-pentamethyl-

    44. 1,3-benzenediacetonitrile, .alpha.1,.alpha.1,.alpha.3,.alpha.3,5-pentamethyl-

    45. Alpha , Alpha , Alpha , Alpha -tetramethyl-5-methyl-1,3-benzenediacetonitrile

    2.4 Create Date
    2007-04-02
    3 Chemical and Physical Properties
    Molecular Weight 226.32 g/mol
    Molecular Formula C15H18N2
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass226.146998583 g/mol
    Monoisotopic Mass226.146998583 g/mol
    Topological Polar Surface Area47.6 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity338
    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