CAS 108-14-5

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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

CAS 108-14-5

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 Formula	C₅H₁₂ClN
Molecular Weight	121.61 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	121.0658271 g/mol
Monoisotopic Mass	121.0658271 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	45.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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