CAS 139306-10-8

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Chemistry

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Also known as: 139306-10-8, (s)-3-(1-(dimethylamino)ethyl)phenol, 3-[(1s)-1-(dimethylaminoethyl)]phenol, Nap 226-90, Nap-226-90, (s)-3-[1-(dimethylamino)ethyl]phenol

Molecular Formula

C₁₀H₁₅NO

Molecular Weight

165.23 g/mol

InChI Key

GQZXRLWUYONVCP-QMMMGPOBSA-N

FDA UNII

1608PLR9ZO

1 2D Structure

CAS 139306-10-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(1S)-1-(dimethylamino)ethyl]phenol

2.1.2 InChI

InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1

2.1.3 InChI Key

GQZXRLWUYONVCP-QMMMGPOBSA-N

2.1.4 Canonical SMILES

CC(C1=CC(=CC=C1)O)N(C)C

2.1.5 Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)O)N(C)C

2.2 Other Identifiers

2.2.1 UNII

1608PLR9ZO

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(1-dimethylaminoethyl)phenol

2. Nap 226-90

3. Nap-226-90

4. Nap226-90

2.3.2 Depositor-Supplied Synonyms

1. 139306-10-8

2. (s)-3-(1-(dimethylamino)ethyl)phenol

3. 3-[(1s)-1-(dimethylaminoethyl)]phenol

4. Nap 226-90

5. Nap-226-90

6. (s)-3-[1-(dimethylamino)ethyl]phenol

7. Phenol, 3-[(1s)-1-(dimethylamino)ethyl]-

8. 3-((1s)-1-(dimethylamino)ethyl)phenol

9. (s)-3-(1-dimethylaminoethyl)phenol

10. (-)-3-((1s)-1-(dimethylamino)ethyl)phenol

11. 1608plr9zo

12. Phenol, 3-((1s)-1-(dimethylamino)ethyl)-

13. (s)-3-1(- Dimethylamino)ethylphenol

14. 3-[(1s)-1-(dimethylamino)ethyl]phenol (dimetol)

15. Saf

16. 3-((s)-1-dimethylamino-ethyl)-phenol

17. Unii-1608plr9zo

18. Mfcd06656491

19. 1gqs

20. (s)-3-1(-dimethylamino)ethylphenol

21. Rivastigmine Specified Impurity A [ep]

22. Schembl47340

23. Rivastigmine Tartrate Impurity, Phenol Impurity- [usp]

24. Rivastigmine Hydrogen Tartrate Specified Impurity A [ep]

25. Dtxsid60161005

26. Act06150

27. Zinc3591018

28. (s)-3-1(-dimethylamino)ethyl Phenol

29. Akos015850730

30. Rivastigmine Related Compound C

31. Ac-3489

32. Db04556

33. Mg-0726

34. 3-[(1s)-1-(dimethylamino)ethyl] Phenol

35. 3-[(1s)-1-(dimethylamino)ethyl]-phenol

36. Db-001145

37. Nap226-90 (rivastigmine Ep Impurity A)

38. Am20080948

39. Cs-0039885

40. D4258

41. Rivastigmine Impurity A [ep Impurity]

42. Rivastigmine Related Compound C [usp-rs]

43. 306d108

44. A1-00312

45. W-205531

46. Q27095312

47. Rivastigmine Related Compound C [usp Impurity]

48. Rivastigmine Hydrogen Tartrate Impurity A [ep Impurity]

49. Rivastigmine Tartrate Impurity, Phenol Impurity- [usp Impurity]

50. (s)-3-(1-(dimethylamino)ethyl)phenol; 3-[(1s)-1-(dimethylamino)ethyl]phenol

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO
Molecular Weight	165.23 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.115364102 g/mol
Monoisotopic Mass	165.115364102 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1