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CAS 13636-02-7 manufacturers and suppliers on PharmaCompass

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CAS 13636-02-7
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

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
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