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Also known as: 13636-02-7, 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol, 3-(dimethylamino)-1-(thiophen-2yl)propan1-ol, Duloxetine impurity 16, 3-(n,n-dimethylamino)-1-(2-thienyl)propan-1-ol, 3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
Molecular Formula
C9H15NOS
Molecular Weight
185.29  g/mol
InChI Key
XWCNSHMHUZCRLN-UHFFFAOYSA-N

CAS 13636-02-7
1 2D Structure

CAS 13636-02-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
2.1.2 InChI
InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3
2.1.3 InChI Key
XWCNSHMHUZCRLN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CCC(C1=CC=CS1)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13636-02-7

2. 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

3. 3-(dimethylamino)-1-(thiophen-2yl)propan1-ol

4. Duloxetine Impurity 16

5. 3-(n,n-dimethylamino)-1-(2-thienyl)propan-1-ol

6. 3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol

7. Mfcd09701963

8. 3-(dimethylamino)-1-(2-thienyl) Propan-1-ol

9. (s)-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propylamine

10. Duloxetine Impurity 17;(s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

11. Mfcd07782107

12. 3-dimethylamino-1-thiophen-2-yl-propan-1-ol

13. Ec 603-957-8

14. Schembl4156

15. 2-[3-(dimethylamino)-1-hydroxypropyl]thiophene

16. N,n-dimethyl-3-(2-thienyl)-3-hydroxypropanamine

17. N,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

18. Dtxsid50468979

19. Amy22764

20. Bcp07744

21. Bcp12352

22. Akos005067927

23. Ac-4588

24. Pb12476

25. Sb47871

26. As-31806

27. Sy014457

28. Sy067180

29. 3-dimethylamino-1-(2-thienyl)-1-propanol

30. 3-dimethylamino-1-(2-thienyl)propan-1-ol

31. Db-021715

32. Db-030875

33. Db-049785

34. Cs-0001963

35. D4009

36. Ft-0603778

37. Ft-0603779

38. Ft-0654046

39. 3-dimethylamino-1-(thiophen-2-yl)-1-propanol

40. 1-hydroxy-1-(2-thienyl)-3-dimethylaminopropane

41. 636d027

42. N,n-dimethyl-3-hydroxy-3-(2-thienyl)propylamine

43. S-n,n-dimethyl-3-hydroxy-(2-thienol)propanamine

44. 3-(dimethylamino)-1-(thiophen-2-yl) Propan-1-ol

45. Alpha-[2-(dimethylamino)ethyl]-2-thiophene Methanol

46. J-510867

47. J-510871

48. 2-thiophenemethanol, Alpha-[2-(dimethylamino)ethyl]-

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 185.29 g/mol
Molecular Formula C9H15NOS
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass185.08743528 g/mol
Monoisotopic Mass185.08743528 g/mol
Topological Polar Surface Area51.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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