CAS 821-48-7

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19 Suppliers, 19 End Use APIs, 122 Related Intermediates

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19 End Use APIs
122 Related Intermediates

Chemistry

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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 Formula	C₄H₁₀Cl₃N
Molecular Weight	178.48 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	176.987882 g/mol
Monoisotopic Mass	176.987882 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	28.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2