CAS 4261-67-0

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2 End Use APIs
12 Related Intermediates

Chemistry

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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

CAS 4261-67-0

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 Formula	C₆H₁₅Cl₂N
Molecular Weight	172.09 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	171.0581549 g/mol
Monoisotopic Mass	171.0581549 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	54.5
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	2