Aragen Life Sciences

CAS 821-48-7

Chemistry, 19 End Use API, 95 Related Intermediates

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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

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CAS Number

129722-34-5

End Use API

Aripiprazole

About the Company

Aragen is a trusted R&D and manufacturing partner to the global life sciences industry. From concept to c...

Aragen is a trusted R&D and manufacturing partner to the global life sciences industry. From concept to commercial, we transform your ideas into solutions for better health. Whether large pharma or biotech, an agrochemical or animal health company, we provide you global resources and proven capabilities at every stage of the biopharma lifecycle, in small and large molecules. Our ability to offer end-to-end solutions or support standalone programs is underpinned by an innovation mindset, enabling technologies, and a partnership approach to every engagement.

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