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2D Structure
Also known as: 4584-49-0, 2-chloro-n,n-dimethylpropan-1-amine hydrochloride, 2-dimethylaminoisopropyl chloride hydrochloride, 2-chloro-1-(dimethylamino)propane hydrochloride, 2-(dimethylamino)isopropyl chloride hydrochloride, 2-chloro-n,n-dimethylpropylamine hydrochloride
Molecular Formula
C5H13Cl2N
Molecular Weight
158.07  g/mol
InChI Key
OCWGRWAYARCRTQ-UHFFFAOYSA-N
FDA UNII
AO9WB15SNZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N,N-dimethylpropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
2.1.3 InChI Key
OCWGRWAYARCRTQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN(C)C)Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
AO9WB15SNZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4584-49-0

2. 2-chloro-n,n-dimethylpropan-1-amine Hydrochloride

3. 2-dimethylaminoisopropyl Chloride Hydrochloride

4. 2-chloro-1-(dimethylamino)propane Hydrochloride

5. 2-(dimethylamino)isopropyl Chloride Hydrochloride

6. 2-chloro-n,n-dimethylpropylamine Hydrochloride

7. 2-chloropropyldimethylamine Hydrochloride

8. (2-chloropropyl)dimethylamine Hydrochloride

9. 1-methyl-2-dimethylaminoethyl Chloride Hydrochloride

10. (2-chloropropyl)dimethylamine Monohydrochloride

11. 1-(dimethylamino)-2-chloropropane Hydrochloride

12. 2-chloro-n',n'-dimethylaminopropane Hydrochloride

13. 2-chloropropyl-dimethylamine Hydrochloride

14. 2-(dimethylamino)-1-methylethyl Chloride Hydrochloride

15. Ao9wb15snz

16. 2-chloro-n,n-dimethyl-1-propanamine Hydrochloride

17. Propylamine, 2-chloro-n,n-dimethyl-, Hydrochloride

18. 1-propanamine, 2-chloro-n,n-dimethyl-, Hydrochloride

19. Nsc-5367

20. Nsc-53532

21. 1-propanamine, 2-chloro-n,n-dimethyl-, Hydrochloride (1:1)

22. 2-chloro-n,n-dimethylaminopropane Hydrochloride

23. 2-chloro-1-dimethylaminopropane Hydrochloride

24. 2-chloropropyldimethylammonium Chloride

25. Wln: Gy1&1n1&1 &gh

26. 1-propanamine,n-dimethyl-, Hydrochloride

27. Propane,n-dimethylamino)-2-chloro-, Hydrochloride

28. Nsc 5367

29. Einecs 224-971-7

30. Nsc 53532

31. Ai3-26684

32. 2-dimethylaminoisopropylchloridehydrochloride

33. Mfcd00012534

34. 2-chloro-n,n-dimethylpropylamine Hcl

35. Propane, 1-(n,n-dimethylamino)-2-chloro-, Hydrochloride

36. Unii-ao9wb15snz

37. Dsstox_cid_4780

38. Dsstox_gsid_24780

39. Schembl377772

40. Dtxsid3024780

41. Nsc5367

42. Nsc53532

43. Tox21_303897

44. Akos015900665

45. Am90213

46. Sb76089

47. Ncgc00357152-01

48. As-68091

49. Cas-4584-49-0

50. Dimethylaminoisopropyl Chloride Hydrochloride

51. Cs-0128777

52. D1665

53. Ft-0611668

54. 1-dimethylamino-2-propyl Chloride Hydrochloride

55. 2-chloro-n,n-dimethylpropan-1-aminehydrochloride

56. 2-chloro-n,n-dimethylpropan-1-amine;hydrochloride

57. 2-dimethylamino-1-methylethylchloride Hydrochloride

58. A872329

59. 2-chloro-n,n-dimethylpropylamine Hydrochloride, 98%

60. 1-dimethylaminopropan-2-yl Chloride Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 158.07 g/mol
Molecular Formula C5H13Cl2N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass157.0425048 g/mol
Monoisotopic Mass157.0425048 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity45.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2