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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

CAS 4261-68-1
1 2D Structure

CAS 4261-68-1

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

BUILDING BLOCK

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