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2D Structure
Also known as: 108-14-5, 2-chloro-n,n-dimethylpropan-1-amine, 1-propanamine, 2-chloro-n,n-dimethyl-, 2-chloro-n,n-dimethyl propylamine, Propylamine, 2-chloro-n,n-dimethyl-, 1-propanamine,2-chloro-n,n-dimethyl-
Molecular Formula
C5H12ClN
Molecular Weight
121.61  g/mol
InChI Key
GYXWNSDLDXGMGU-UHFFFAOYSA-N
FDA UNII
2PR224F7AM

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N,N-dimethylpropan-1-amine
2.1.2 InChI
InChI=1S/C5H12ClN/c1-5(6)4-7(2)3/h5H,4H2,1-3H3
2.1.3 InChI Key
GYXWNSDLDXGMGU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN(C)C)Cl
2.2 Other Identifiers
2.2.1 UNII
2PR224F7AM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 108-14-5

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

3. 1-propanamine, 2-chloro-n,n-dimethyl-

4. 2-chloro-n,n-dimethyl Propylamine

5. Propylamine, 2-chloro-n,n-dimethyl-

6. 1-propanamine,2-chloro-n,n-dimethyl-

7. 2pr224f7am

8. 2-chloro-1-dimethylaminopropane

9. 2-chloro-n,n-dimethyl-1-propanamine

10. 2-chloro-n,n-dimethyl-1-propylamine

11. Beta-dimethylaminoisopropyl Chloride

12. (2-chloropropyl)dimethylamine

13. 2-chloro-n,n-dimethylpropylamine

14. N,n-dimethyl-2-chloropropylamine

15. Einecs 203-554-3

16. Unii-2pr224f7am

17. 1-dimethylamino-2-chloropropane

18. Schembl135840

19. (2-chlor-propyl)-dimethylamin

20. Dtxsid4043858

21. Niosh/ip9550000

22. N,n-dimethyl-2-chloro Propylamine

23. Dimethylamine, N-(2-chloropropyl)-

24. Stl183825

25. Tl 424

26. Propanamine, 2-chloro-n,n-dimethyl-

27. 1-methyl-2-dimethylaminoethyl Chloride

28. Akos009159519

29. Dimethylamino Isopropyl Chloride

30. J26.174b

31. N-(2-chloropropyl)-n,n-dimethylamine #

32. 2-chloro-1-(dimethylamino)propane

33. Ft-0774635

34. Ip95500000

35. 1-methyl-2-(n,n-dimethylamino)ethyl Chloride

36. Q27255431

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 121.61 g/mol
Molecular Formula C5H12ClN
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass121.0658271 g/mol
Monoisotopic Mass121.0658271 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count7
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 Count1