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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

CAS 4584-49-0
1 2D Structure

CAS 4584-49-0

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

BUILDING BLOCK

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