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2D Structure
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

2D Structure

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