loader
Please Wait
Applying Filters...

Metrochem API Private Limited Metrochem API Private Limited

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 1228780-72-0, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 1228780-72-0

    Manufacturers/Suppliers

    MARKET PLACE

    PharmaCompass

    Veranova: A CDMO that manages complexity with confidence.

    Axplora- The partner of choice for complex APIs.

    2D Structure
    1. Also known as: 1228780-72-0, 827exu9vxn, 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine, 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine, 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine
    Molecular Formula
    C19H27ClN2
    Molecular Weight
    318.9  g/mol
    InChI Key
    YCNNHDUZLQPKJY-UHFFFAOYSA-N
    FDA UNII
    827EXU9VXN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine
    2.1.2 InChI
    InChI=1S/C19H27ClN2/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15/h3-6,21H,7-14H2,1-2H3
    2.1.3 InChI Key
    YCNNHDUZLQPKJY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C
    2.2 Other Identifiers
    2.2.1 UNII
    827EXU9VXN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1228780-72-0

    2. 827exu9vxn

    3. 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine

    4. 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine

    5. 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine

    6. 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine

    7. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine

    8. Piperazine, 1-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-

    9. Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-

    10. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihydrochloride Salt

    11. Unii-827exu9vxn

    12. Schembl524887

    13. Amy275

    14. Bcp28860

    15. Mfcd28129720

    16. 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-piperazine

    17. Akos025404153

    18. Zinc114022179

    19. Cs-w009098

    20. Sb17748

    21. Ac-29699

    22. Da-30043

    23. Ds-10090

    24. Ft-0700758

    25. A857116

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 318.9 g/mol
    Molecular Formula C19H27ClN2
    XLogP33.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass318.1862766 g/mol
    Monoisotopic Mass318.1862766 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity402
    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