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CAS 153259-31-5
PharmaCompass
CAS 153259-31-5
Also known as: 153259-31-5, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride, 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine hydrochloride, 2-chloromethyl-4-methoxypropoxy-3-methylpyridine hydrochloride, Ak-26839, 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxypyridine) hydrochloride
Molecular Formula
C11H17Cl2NO2
Molecular Weight
266.162  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)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

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

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

5. Ak-26839

6. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxypyridine) Hydrochloride

7. Q-200145

8. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hcl

9. 2-chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

10. 4-(3-methoxypropoxy)-2-(chloromethyl)-3-methylpyridine Hydrochlorid

11. 2-[[[4-(3-methoxy Propoxy)-3-methyl Pyridine-2-yl]methyl] Thio]-1h-benzimidazole

12. Pubchem20771

13. Acmc-1c49w

14. C11h17cl2no2

15. Ksc174i9p

16. Schembl2781673

17. Jsp002974

18. Ctk0h4497

19. Dtxsid50596322

20. Molport-003-986-472

21. Act01508

22. Ks-00000dw3

23. Zx-rl005889

24. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride

25. 2-chloromethyl-4-(3-methoxypropoxy)-3-methyl Pyridine Hydrochloride

26. Anw-72821

27. Mfcd06658231

28. Sbb070903

29. Akos015891520

30. Ac-4558

31. Ac-8345

32. Am84488

33. Cs-w021431

34. Ds-1446

35. Rtc-063601

36. Acm117977505

37. Bc209226

38. Bl009616

39. Br-26839

40. Cc-10234

41. Or307218

42. P466

43. Sc-16311

44. Sy023611

45. Ab0017028

46. Ax8013371

47. Kb-170007

48. Kb-230178

49. St2409376

50. Tc-063601

51. Tl8001144

52. 4ch-005987

53. Ft-0643501

54. M-1466

55. 259c315

56. C-16660

57. I02-0319

58. I02-1792

59. J-008994

60. 2-chloromethyl-3-methyl-4-(3-meyhoxylpropanoxyl) P

61. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy) Pyridine Hcl

62. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hcl

63. 2-chloromethyl-3-methyl-4-methoxypropoxypyridine Hydrochloride

64. 2-chloromethyl-4-(3-methoxypropoxy)-3-methylpyridinehcl98%min

65. 2-choromethyl-3-methyl-4-methoxypropoxy Pyridine Hydrochloride

66. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridinehydrochloride

67. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy) Pyridine Hcl

68. 2-chloromethyl-3-methyl-4-(3-methoxy Propoxy)pyridine Hydrochloride

69. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride (1:1)

70. 2-chloromethyl-3-methyl-4-(3-methoxylpropanoxyl) Pyridine Hydrochloride

71. 2-chloromethyl-3-methyl-4-(3-meyhoxylpropanoxyl)pyridine Hydrochloride

72. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine--hydrogen Chloride (1/1)

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 266.162 g/mol
Molecular Formula C11H17Cl2NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass265.064 g/mol
Monoisotopic Mass265.064 g/mol
Topological Polar Surface Area31.4 A^2
Heavy Atom Count16
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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