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    Technical details about CAS 50609-01-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 50609-01-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 50609-01-3, 4-(2-pyrrolidin-1-yl-ethoxy)-phenylamine, 4-[2-(pyrrolidin-1-yl)ethoxy]aniline, 4-(2-pyrrolidin-1-ylethoxy)aniline, 4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine, Benzenamine, 4-[2-(1-pyrrolidinyl)ethoxy]-
    Molecular Formula
    C12H18N2O
    Molecular Weight
    206.28  g/mol
    InChI Key
    OTYZNDKWNPQQJP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-pyrrolidin-1-ylethoxy)aniline
    2.1.2 InChI
    InChI=1S/C12H18N2O/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
    2.1.3 InChI Key
    OTYZNDKWNPQQJP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(C1)CCOC2=CC=C(C=C2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 50609-01-3

    2. 4-(2-pyrrolidin-1-yl-ethoxy)-phenylamine

    3. 4-[2-(pyrrolidin-1-yl)ethoxy]aniline

    4. 4-(2-pyrrolidin-1-ylethoxy)aniline

    5. 4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine

    6. Benzenamine, 4-[2-(1-pyrrolidinyl)ethoxy]-

    7. Schembl56495

    8. Schembl3578343

    9. Amy5575

    10. Dtxsid50424631

    11. 4-(2-pyrrolidinoethoxy)phenylamine

    12. Zinc4938422

    13. Bbl036432

    14. Mfcd07790198

    15. Stk397423

    16. Akos000302268

    17. Ac-5444

    18. Ds-12892

    19. Db-071229

    20. 4-(2-pyrrolidin-1 -yl-ethoxy)-phenylamine

    21. Bb 0258196

    22. Cs-0135274

    23. Ft-0678767

    24. [4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine

    25. 609p013

    26. A828201

    27. J-513246

    28. 4-(2-pyrrolidin-1-ylethoxy)aniline;4-(2-(pyrrolidin-1-yl)ethoxy)aniline

    2.3 Create Date
    2006-04-30
    3 Chemical and Physical Properties
    Molecular Weight 206.28 g/mol
    Molecular Formula C12H18N2O
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass206.141913202 g/mol
    Monoisotopic Mass206.141913202 g/mol
    Topological Polar Surface Area38.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity173
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1