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    CAS 821-48-7
    Also known as: 821-48-7, 2,2'-dichlorodiethylamine hydrochloride, Nornitrogen mustard hydrochloride, N,n-bis(2-chloroethyl)amine hydrochloride, 2-chloro-n-(2-chloroethyl)ethanamine hydrochloride, Mfcd00012515
    Molecular Formula
    C4H10Cl3N
    Molecular Weight
    178.48  g/mol
    InChI Key
    YMDZDFSUDFLGMX-UHFFFAOYSA-N
    FDA UNII
    LY407360DG
    1 2D Structure

    CAS 821-48-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
    2.1.2 InChI
    InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
    2.1.3 InChI Key
    YMDZDFSUDFLGMX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCl)NCCCl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    LY407360DG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 821-48-7

    2. 2,2'-dichlorodiethylamine Hydrochloride

    3. Nornitrogen Mustard Hydrochloride

    4. N,n-bis(2-chloroethyl)amine Hydrochloride

    5. 2-chloro-n-(2-chloroethyl)ethanamine Hydrochloride

    6. Mfcd00012515

    7. Bis(2-chloroethyl)amine Hcl

    8. Ethanamine, 2-chloro-n-(2-chloroethyl)-, Hydrochloride

    9. Bis(2-chloroethyl)ammonium Chloride

    10. Di(2-chloroethyl)amine Hydrochloride

    11. Nor-lost Hydrochlorid

    12. Nor-hn2

    13. Nor-hn2 Hydrochloride

    14. Leo 72a

    15. Bi(2-chloroethyl)amine Hydrochloride

    16. Nsc 10873

    17. Nsc-10873

    18. 1,5-dichloro-3-azapentane Hydrochloride

    19. Bis(.beta.-chloroethyl)amine Hydrochloride

    20. Nc 26

    21. Di-2-chloroethylamine Hydrochloride

    22. Sk 555

    23. Tl 161

    24. .beta.,.beta.'-dichlorodiethylamine Hydrochloride

    25. Diethylamine, 2,2'-dichloro-, Hydrochloride

    26. Ly407360dg

    27. Ethanamine, 2-chloro-n-(2-chloroethyl)-, Hydrochloride (1:1)

    28. Di-(2-chloroethyl)amine Hydrochloride

    29. Bis-(2-chloroethyl)amine Hydrochloride

    30. Dsstox_cid_31140

    31. Dsstox_gsid_52567

    32. Leo-72a

    33. Wln: G2m2g &gh

    34. 2-chloro-n-(2-chloroethyl)ethanamine;hydrochloride

    35. 2-chloro-n-(2-chloroethyl)ethylamine Hydrochloride

    36. Schembl246133

    37. Bischloroethylamine Hydrochloride

    38. Dtxsid3052567

    39. Bis-chloroethylamine Hydrochloride

    40. N,n-bis(2-bromoethyl)amine Hcl

    41. Nor-nitrogen Mustard Hydrochloride

    42. Bis(chloroethyl)amine Hydrochloride

    43. Nsc10873

    44. Str04145

    45. Bis(2-chloroethyl)aminehydrochloride

    46. Tox21_303731

    47. Bis(2-chloroethyl) Ammonium Chloride

    48. Bis-(2-chloroethyl)ammonium Chloride

    49. Bis-(2-choroethyl)amine Hydrochloride

    50. Akos005258967

    51. Bis (2-chloroethyl)amine Hydrochloride

    52. Bis(2- Chloroethyl)amine Hydrochloride

    53. Bis(2-chloroethyl)-amine Hydrochloride

    54. Bis(2-chloroethyl)amine, Hydrochloride

    55. Bis(2-chloroethyl) Amine Hydrochloride

    56. Cs-w020124

    57. Bis (2-chloroethyl) Amine Hydrochloride

    58. Bis(2-chloroethyl)amine Hydro Chloride

    59. Bis(2-chloroethyl)amine Hydrogenchloride

    60. Bis(beta-chloroethyl)amine Hydrochloride

    61. Bis-(2-chloro-ethyl)amine Hydrochloride

    62. Bis-(2-chloroethyl) Amine Hydrochloride

    63. Bis-(2-chloroethyl)-amine Hydrochloride

    64. Bis(2-chloroethyl)amine Monohydrochloride

    65. Diethylamine,2'-dichloro-, Hydrochloride

    66. Ncgc00357040-01

    67. Ss,ss'-dichlorodiethylamine Hydrochloride

    68. 1,5-dichloro-3-azapentane, Hydrochloride

    69. Bis(2-chloroethyl)amine Hydrochloric Acid

    70. Bis-(2-chloro-ethyl)-amine Hydrochloride

    71. Cas-821-48-7

    72. Bis(2-chloroethyl)amine Hydrochloride Salt

    73. Bis-(2-chloroethyl)amine Hydrochloride Salt

    74. Am20100797

    75. Bis(2-chloroethyl)amine Hydrochloride, 98%

    76. Ft-0622998

    77. Ft-0663246

    78. 2-chloro-n-(2-chloroethyl)ethanaminium Chloride

    79. 2-chloro-n-(2-chloroethyl)-ethanamine Hydrochloride

    80. J-519863

    81. F0001-2106

    82. 1011513-93-1

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 178.48 g/mol
    Molecular Formula C4H10Cl3N
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass176.987882 g/mol
    Monoisotopic Mass176.987882 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity28.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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