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CAS 13636-02-7
PharmaCompass
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, 3-(dimethylamino)-1-(2-thienyl) propan-1-ol, 2-[3-(dimethylamino)-1-hydroxypropyl]thiophene, N,n-dimethyl-3-(2-thienyl)-3-hydroxypropanamine
Molecular Formula
C9H15NOS
Molecular Weight
185.285  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. 3-(dimethylamino)-1-(2-thienyl) Propan-1-ol

5. 2-[3-(dimethylamino)-1-hydroxypropyl]thiophene

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

7. 3-(n,n-dimethylamino)-1-(2-thienyl)propan-1-ol

8. C9h15nos

9. Pubchem11280

10. Acmc-1btan

11. 3-(dimethylamino)-1-

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

13. Acmc-209bp1

14. Schembl4156

15. Ctk0h4396

16. Dtxsid50468979

17. Molport-000-140-557

18. Xwcnshmhuzcrln-uhfffaoysa-n

19. Acn-s003539

20. Anw-20030

21. Mfcd09701963

22. Akos005067927

23. Ac-4588

24. Rp24552

25. Tra0075570

26. Vz26092

27. Ks-0000096t

28. Ak-33172

29. He006789

30. Kb-69935

31. Sy014457

32. 3-dimethylamino-1-(2-thienyl)-1-propanol

33. 3-dimethylamino-1-(2-thienyl)propan-1-ol

34. Ab0035573

35. Ab1006489

36. Db-021715

37. Db-030875

38. St2404810

39. Tr-039641

40. 3-(dimethylamino)-1-(2-tienyl)-1-popanol

41. 3-(dimetylamino)-1-(2-thienyl)-1-propanol

42. Cs-0001963

43. D4009

44. Ft-0603779

45. X9945

46. 3-dimethylamino-1-(thiophen-2-yl)-1-propanol

47. K-4356

48. 1-hydroxy-1-(2-thienyl)-3-dimethylaminopropane

49. 636d027

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

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

52. 3-(dimethylamino)-1-(thiophen-2-yl) Propan-1-ol

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

54. I09-0267

55. I09-1323

56. J-510867

57. J-510871

58. (rs)-n-methyl-gama-(1-naphthalenyloxy)-2-thiophenepropanamine Hydrochloride

59. 3-(n,n-dimethylamino)-1-(2-thienyl)propan-1-ol; N,n-dimethyl-3-(2-thienyl)-3-hydroxypropanamine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 185.285 g/mol
Molecular Formula C9H15NOS
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass185.087 g/mol
Monoisotopic Mass185.087 g/mol
Topological Polar Surface Area51.7 A^2
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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