CAS 4261-68-1

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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

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 Formula	C₈H₁₉Cl₂N
Molecular Weight	200.15 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	199.0894550 g/mol
Monoisotopic Mass	199.0894550 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	73.3
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