CAS 153259-31-5

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7 End Use APIs
16 Related Intermediates

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Chemistry

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Also known as: 153259-31-5, 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine hydrochloride, 2-chloromethyl-4-methoxypropoxy-3-methylpyridine hydrochloride, 2-chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride, Mfcd06658231

Molecular Formula

C₁₁H₁₇Cl₂NO₂

Molecular Weight

266.16 g/mol

InChI Key

MNVYUQSFAJMSCS-UHFFFAOYSA-N

1 2D Structure

CAS 153259-31-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride

2.1.2 InChI

InChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H

2.1.3 InChI Key

MNVYUQSFAJMSCS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CN=C1CCl)OCCCOC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 153259-31-5

2. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hydrochloride

3. 2-chloromethyl-4-methoxypropoxy-3-methylpyridine Hydrochloride

4. 2-chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

5. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride

6. Mfcd06658231

7. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine, Hcl

8. 4-(3-methoxypropoxy)-2-(chloromethyl)-3-methylpyridine Hydrochlorid

9. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hcl

10. Schembl2781673

11. Dtxsid50596322

12. Act01508

13. Bcp12263

14. 2-chloromethyl-3-methyl-4-(3-methoxy Propoxy)pyridine Hydrochloride

15. 2-chloromethyl-3-methyl-4-(3-methoxypropanoxy)pyridine Hydrochloride

16. Akos015891520

17. Ac-4558

18. Ac-8345

19. Am84488

20. Cs-w021431

21. Ds-1446

22. Bl009616

23. Sy023611

24. Db-020941

25. Ft-0643501

26. 259c315

27. J-008994

28. Q-200145

29. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hcl

30. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy) Pyridine Hcl

31. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride (1:1)

32. 2-chloromethyl-3-methyl-4-(3-meyhoxylpropanoxyl)pyridine Hydrochloride

33. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine--hydrogen Chloride (1/1)

34. 2-chloromethyl-4-(3-methoxy-propoxy)-3-methyl-pyridine; Hydrochloride;2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hcl

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇Cl₂NO₂
Molecular Weight	266.16 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	265.0636342 g/mol
Monoisotopic Mass	265.0636342 g/mol
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	169
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