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    CAS-4261-68-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 4261-68-1, 2-diisopropylaminoethyl chloride hydrochloride, 2-chloroethyldiisopropylamine hydrochloride, 2-propanamine, n-(2-chloroethyl)-n-(1-methylethyl)-, hydrochloride, 6rmr38fceq, N-(2-chloroethyl)diisopropylamine hydrochloride
    Molecular Formula
    C8H19Cl2N
    Molecular Weight
    200.15  g/mol
    InChI Key
    IUSXYVRFJVAVOB-UHFFFAOYSA-N
    FDA UNII
    6RMR38FCEQ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H
    2.1.3 InChI Key
    IUSXYVRFJVAVOB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N(CCCl)C(C)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6RMR38FCEQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4261-68-1

    2. 2-diisopropylaminoethyl Chloride Hydrochloride

    3. 2-chloroethyldiisopropylamine Hydrochloride

    4. 2-propanamine, N-(2-chloroethyl)-n-(1-methylethyl)-, Hydrochloride

    5. 6rmr38fceq

    6. N-(2-chloroethyl)diisopropylamine Hydrochloride

    7. Nsc-49189

    8. N-(2-chloroethyl)-n-propan-2-ylpropan-2-amine;hydrochloride

    9. N-(2-chloroethyl)-n-(propan-2-yl)propan-2-amine Hydrochloride

    10. (2-chloroethyl)bis(propan-2-yl)amine Hydrochloride

    11. Ncgc00166002-01

    12. Einecs 224-238-1

    13. Unii-6rmr38fceq

    14. Nsc 49189

    15. 2-chloroethyldiisopropylammonium Chloride

    16. Ai3-26685

    17. N-(chloroethyl)diisopropylamine Hydrochloride

    18. (beta-chloroethyl)diisopropylamine Hydrochloride

    19. Diisopropylamine, N-(2-chloroethyl)-, Hydrochloride

    20. Triethylamine, 2''-chloro-1,1'-dimethyl-, Hydrochloride

    21. N-(2-chloroethyl)-n-(1-methylethyl)-2-propanamine Hydrochloride

    22. (2-chloroethyl)diisopropylamine Hydrochloride

    23. Ai 3-26685

    24. Dsstox_cid_28627

    25. Dsstox_rid_82897

    26. Dsstox_gsid_48701

    27. Schembl227522

    28. Chembl3188338

    29. Dtxsid6048701

    30. Nsc49189

    31. Tox21_113097

    32. Mfcd00012496

    33. 2-propanamine, N-(2-chloroethyl)-n-(1-methylethyl)-, Hydrochloride (1:1)

    34. Akos015950691

    35. 2-(diisopropylamino)ethyl Chloride Hcl

    36. Diisopropylaminoethylchloridehydrochloride

    37. Diisopropylaminoethylchloride Hydrochloride

    38. Triethylamine,1'-dimethyl-, Hydrochloride

    39. 2-diisopropylaminoethylchloridehydrochloride

    40. Cas-4261-68-1

    41. Diisoproplyaminoethyl Chloride-hydrochloride

    42. Diisopropylaminoethyl Chloride Hydrochloride

    43. 2-diisopropylaminoethylchloride Hydrochloride

    44. 2-chloroethyl(diisopropyl)amine Hydrochloride

    45. 2-diisopropylamino Chloroethane Hydrochloride

    46. Am20100125

    47. D1466

    48. Ft-0612173

    49. (2-chloroethyl)-diisopropylamine Hydrochloride

    50. (2-chloroethyl)-diisopropyl-amine Hydrochloride

    51. 1-chloro-2-diisopropylaminoethane Hydrochloride

    52. 2-(diisopropylamino)ethylchloride Hydrochloride

    53. 2-chloroethyl-bis(isopropyl)amine Hydrochloride

    54. 2-diisopropylamino-ethyl Chloride Hydrochloride

    55. 2-(diisoproplyamino)ethyl Chloride Hydrochloride

    56. 2-(diisopropylamino) Ethyl Chloride Hydrochloride

    57. 2-(diisopropylamino)-ethylchloride Hydrochloride

    58. 2-chloro-n,n-diisopropylethylamine Hydrochloride

    59. 2-(n,n-diisopropylamino)ethyl Chloride Hydrochloride

    60. W-106268

    61. N-(2-chloroethyl)-n,n-diisopropylamine Hydrochloride

    62. Q27265386

    63. N-(2-chloroethyl)-n-isopropylpropan-2-amine Hydrochloride

    64. Hydrochloriden-(2-chloroethyl)-n-(1-methylethyl)-2-propanamine

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 200.15 g/mol
    Molecular Formula C8H19Cl2N
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass199.0894550 g/mol
    Monoisotopic Mass199.0894550 g/mol
    Topological Polar Surface Area3.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity73.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2