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Also known as: 5407-04-5, 3-chloro-n,n-dimethylpropan-1-amine hydrochloride, 3-dimethylaminopropyl chloride hydrochloride, 3-(dimethylamino)propyl chloride hydrochloride, Dimethylaminopropyl chloride hydrochloride, N,n-dimethyl-3-chloropropylamine hydrochloride
Molecular Formula
C5H13Cl2N
Molecular Weight
158.07  g/mol
InChI Key
LJQNMDZRCXJETK-UHFFFAOYSA-N
FDA UNII
4031FU3Q6G

CAS 5407-04-5
1 2D Structure

CAS 5407-04-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-N,N-dimethylpropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
2.1.3 InChI Key
LJQNMDZRCXJETK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CCCCl.Cl
2.2 Other Identifiers
2.2.1 UNII
4031FU3Q6G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dimethylaminopropyl Chloride

2. Dimethylaminopropyl Chloride Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 5407-04-5

2. 3-chloro-n,n-dimethylpropan-1-amine Hydrochloride

3. 3-dimethylaminopropyl Chloride Hydrochloride

4. 3-(dimethylamino)propyl Chloride Hydrochloride

5. Dimethylaminopropyl Chloride Hydrochloride

6. N,n-dimethyl-3-chloropropylamine Hydrochloride

7. 3-chloro-n,n-dimethylpropylamine Hydrochloride

8. 1281-00-1

9. Mfcd00012521

10. Dimethylaminopropyl Chloride, Hydrochloride

11. (3-chloropropyl)dimethylamine Hydrochloride

12. 1-chloro-3-(dimethylamino)propane Hydrochloride

13. 3-(dimethylamino)chloropropane Hydrochloride

14. Beta-dimethylaminopropylchloride Hydrochloride

15. 3-dimethylamino-1-propyl Chloride Hydrochloride

16. 4031fu3q6g

17. 3-(dimethylamino)-1-propyl Chloride Hydrochloride

18. 3-chloro-n',n'-dimethylaminopropane Hydrochloride

19. 3-chloro-n,n-dimethyl-1-propanamine Hydrochloride

20. 3-chloro-n,n-dimethylpropan-1-amine;hydrochloride

21. Nsc-5368

22. 1-propanamine, 3-chloro-n,n-dimethyl-, Hydrochloride (1:1)

23. 3-dimethylaminopropylchloride

24. Ccris 7054

25. 3-chloro-n,n-dimethyl-d6-propylamine Hcl

26. 3-chloropropyldimethylammonium Chloride

27. Nsc 5368

28. Einecs 226-467-2

29. 1219799-04-8

30. Stearylcitratemono

31. Ai3-26681

32. 1-chloro-3-dimethylaminopropane Hydrochloride

33. Dsstox_cid_2227

34. Schembl9801

35. Dsstox_rid_76526

36. Dsstox_gsid_22227

37. 3-chloro-n,n-dimethyl-1-propylamine Hydrochloride

38. 3-chloro-n,n-dimethyl-propan-1-amine Hydrochloride

39. Me2n-(ch2)3-cl.hcl

40. Unii-4031fu3q6g

41. Propylamine, 3-chloro-n,n-dimethyl-, Hydrochloride

42. 1-propanamine, 3-chloro-n,n-dimethyl-, Hydrochloride

43. 1-propylamine, 3-chloro-n,n-dimethyl-, Hydrochloride

44. Dimethylaminopropyl Chloride Hcl

45. Chembl1362069

46. Dtxsid5022227

47. Nsc5368

48. 3-dimethylaminopropyl Chloride Hcl

49. Tox21_201208

50. Ac-360

51. Ac7814

52. Akos015846044

53. Am90218

54. Cs-w019575

55. Dimethylaminopropylchloride Hydrochloride

56. 3-chloropropyldimethylamine Hydrochloride

57. (3-chloropropyl)dimethylammonium Chloride

58. Ncgc00091536-01

59. Ncgc00258760-01

60. 3-chloro-n,n-dimethylpropan-1-amine Hcl

61. 3-dimethylaminopropylchloride-hydrochloride

62. 3dimethylaminopropyl Chloride Hydrochloride

63. Sy006370

64. 3-dimethyaminopropyl Chloride Hydrochloride

65. Cas-5407-04-5

66. 1-dimethylamino-3-chloropropane Hydrochloride

67. 3-dimethylamino-1-chloropropane Hydrochloride

68. 3-dimethylamino-propyl Chloride Hydrochloride

69. D0663

70. Ft-0615608

71. (3-chloro-propyl)-dimethylamine Hydrochloride

72. (3chloro-propyl)-dimethyl-amine Hydrochloride

73. 1-chloro-3-dimethylamino-propane Hydrochloride

74. 3-dimethylamino-1-propylchloride Hydrochloride

75. (3-chloro-propyl)-dimethyl-amine Hydrochloride

76. 3-(dimethylamino)-1-chloropropane Hydrochloride

77. 3-[dimethylamino]-propyl Chloride Hydrochloride

78. 3-chloro-n,n-dimethylpropan-1-aminium Chloride

79. 3-chloro-n,n-dimethylpropanamine, Hydrochloride

80. D77998

81. Ec 226-467-2

82. N,n-dimethylamino-3-chloropropane Hydrochloride

83. 1-chloro-3-(dimethylamino) Propane Hydrochloride

84. 3-chloro-n,n-dimethylpropan-1-aminehydrochloride

85. N,n-dimethyl-3-aminopropyl Chloride Hydrochloride

86. 3-(n,n-dimethylamino)propylchloride Hydrochloride

87. A904586

88. 3-chloro-n,n-dimethylpropanamine, Monohydrochloride

89. 3-chloro-n,n-dimethylpropane-1-amine Hydrochloride

90. N,n-dimethyl-n-(3-chloropropyl)amine Hydrochloride

91. N-(3-chloropropyl)-n,n-dimethylamine Hydrochloride

92. Q-200374

93. 3-dimethylamino-1-propyl Chloride Hydrochloride, 96%

94. Q27258279

95. F0001-1419

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 Count3
Exact Mass157.0425048 g/mol
Monoisotopic Mass157.0425048 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity37.1
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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