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2D Structure
Also known as: 4261-67-0, 3-chloro-n,n,2-trimethylpropan-1-amine hydrochloride, 3-chloro-n,n,2-trimethylpropan-1-amine;hydrochloride, N-(3-chloro-2-methylpropyl)-n,n-dimethylamine hydrochloride, Einecs 224-237-6, 3-chloro-2-methyl-n,n-dimethylpropylamine hydrochloride
Molecular Formula
C6H15Cl2N
Molecular Weight
172.09  g/mol
InChI Key
SOMIBONUMGNAEP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-N,N,2-trimethylpropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H
2.1.3 InChI Key
SOMIBONUMGNAEP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN(C)C)CCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4261-67-0

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

3. 3-chloro-n,n,2-trimethylpropan-1-amine;hydrochloride

4. N-(3-chloro-2-methylpropyl)-n,n-dimethylamine Hydrochloride

5. Einecs 224-237-6

6. 3-chloro-2-methyl-n,n-dimethylpropylamine Hydrochloride

7. 3-chloro-2-methylpropyl(dimethyl)ammonium Chloride

8. 3-dimethylamino-2-methylpropyl Chloride Hcl

9. Schembl2218250

10. Dtxsid60962610

11. Bcp09620

12. Mfcd00012514

13. 2-bromo-1,3-diphenyl-3-propanedione

14. Cs-w017630

15. As-69285

16. Ft-0607606

17. 3-chloro-n,n,2-trimethylpropan-1-amine Hcl

18. D71215

19. 2-methyl-3-dimethylaminopropylchloride Hydrochloride

20. 3-chloro-n,n,2-trimethylpropan-1-aminehydrochloride

21. 3-dimethylamino-2-methylpropylchloride Hydrochloride

22. J-512396

23. 1-dimethylamino-2-methyl-3-chloropropane Hydrochloride

24. 2-methyl-3-dimethylaminopropyl Chloride Hydrochloride

25. 3-chloro-2-methyl-1-dimethylaminopropane Hydrochloride

26. 3-chloro-n,n,2-trimethyl-1-propanamine Hydrochloride

27. 1-chloro-3-(dimethylamino)-2-methylpropane Hydrochloride

28. (3-chloro-2-methylpropyl)dimethylamine Hydrochloride

29. 3-chloro-n,n,2-trimethylpropan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 172.09 g/mol
Molecular Formula C6H15Cl2N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass171.0581549 g/mol
Monoisotopic Mass171.0581549 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity54.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2