CAS 13636-02-7

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4 Suppliers, 3 End Use APIs, 27 Related Intermediates

4 Suppliers
3 End Use APIs
27 Related Intermediates

Chemistry

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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

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 Formula	C₉H₁₅NOS
Molecular Weight	185.29 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	185.08743528 g/mol
Monoisotopic Mass	185.08743528 g/mol
Topological Polar Surface Area	51.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1