CAS 72830-09-2

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Chemistry

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Also known as: 72830-09-2, 2-chloromethyl-3,4-dimethoxypyridine hydrochloride, 2-chloromethyl-3,4-dimethoxypyridinium chloride, 2-chloromethyl-3,4-dimethoxy pyridine hydrochloride, 2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride, 2-(chloromethyl)-3,4-dimethoxypyridinium hydrochloride

Molecular Formula

C₈H₁₁Cl₂NO₂

Molecular Weight

224.08 g/mol

InChI Key

YYRIKJFWBIEEDH-UHFFFAOYSA-N

1 2D Structure

CAS 72830-09-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride

2.1.2 InChI

InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H

2.1.3 InChI Key

YYRIKJFWBIEEDH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C(=NC=C1)CCl)OC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 72830-09-2

2. 2-chloromethyl-3,4-dimethoxypyridine Hydrochloride

3. 2-chloromethyl-3,4-dimethoxypyridinium Chloride

4. 2-chloromethyl-3,4-dimethoxy Pyridine Hydrochloride

5. 2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride

6. 2-(chloromethyl)-3,4-dimethoxypyridinium Hydrochloride

7. 2-chloromethyl-3,4-dimethoxy Pyridine Hcl

8. 2-chloromethyl-3,4-dimethoxy Pyridine, Hcl

9. 2-(chloromethyl)-3,4-dimethoxypyridine Hcl

10. Pyridine, 2-(chloromethyl)-3,4-dimethoxy-, Hydrochloride

11. Pantoprazole Impurity 6 Hcl

12. 3,4-dimethoxy-2-chloromethylpyridine Hydrochloride

13. 2-(chloromethyl)-3,4-dimethoxy-pyridine Hydrochloride

14. Schembl1002426

15. Dtxsid10993631

16. Act01507

17. Bcp34518

18. Mfcd02181083

19. Akos007930281

20. Ac-1138

21. Cs-w014226

22. Ps-10655

23. Db-020937

24. A9446

25. Ft-0611963

26. 2-chloromethyl-3,4-dimethoxypyridiniumchloride

27. 830c092

28. A811150

29. 2-(chloromethyl)-3,4-dimethoxypyridinehydrochloride

30. 3,4-dimethoxy-2-chloromethyl Pyridine Hydrochloride

31. J-010586

32. J-506285

33. 2-(chloromethyl)-3,4-dimethoxypyridin-1-ium Chloride

34. 2-(chloromethyl)-3,4-dimethoxypyridine Hydrochloride, 97%

35. 2-(chloromethyl)-3,4-dimethoxypyridine Hydrochloride (1:1)

36. 2-(chloromethyl)-3,4-dimethoxypyridine--hydrogen Chloride (1/1)

2.3 Create Date

2007-07-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁Cl₂NO₂
Molecular Weight	224.08 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	223.0166840 g/mol
Monoisotopic Mass	223.0166840 g/mol
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2