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CAS 105601-04-5
PharmaCompass
CAS 105601-04-5
Also known as: 105601-04-5, Phenol, 3-[1-(dimethylamino)ethyl]-, 3-(1-(dimethylamino)ethyl)phenol, 3-(1-(dimethylamino)ethyl]phenol, Phenol,3-[1-(dimethylamino)ethyl]-, 3-(1-dimethylaminoethyl)phenol
Molecular Formula
C10H15NO
Molecular Weight
165.236  g/mol
InChI Key
GQZXRLWUYONVCP-UHFFFAOYSA-N

1 2D Structure

CAS 105601-04-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[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
2.1.3 InChI Key
GQZXRLWUYONVCP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C1=CC(=CC=C1)O)N(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105601-04-5

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

3. 3-(1-(dimethylamino)ethyl)phenol

4. 3-(1-(dimethylamino)ethyl]phenol

5. Phenol,3-[1-(dimethylamino)ethyl]-

6. 3-(1-dimethylaminoethyl)phenol

7. 3-(1-dimethylamino-ethyl)-phenol

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

9. Acmc-209vzk

10. Ac1l8wwc

11. Acmc-209vt2

12. Schembl43343

13. Phe015

14. Ra08

15. Bdbm10630

16. Ctk4a3955

17. Dtxsid20328334

18. Gqzxrlwuyonvcp-uhfffaoysa-n

19. Molport-005-938-476

20. Hms3604c09

21. Anw-45726

22. Cd-741

23. Mfcd08272688

24. Stl450948

25. Akos015850703

26. Ac-3488

27. Rtr-001167

28. Vz26185

29. Rivastigmine Metabolite

30. 

31. Nap 226-90

32. Ak-32756

33. An-12943

34. Bc216137

35. Sc-00998

36. Sc-13426

37. (+/-)-3-(1-(dimethylamino)ethyl)phenol

38. Ab0057613

39. Db-012764

40. Kb-176741

41. St2405189

42. Tr-001167

43. Am20080966

44. Ft-0642603

45. 3-[1-(dimethylamino)ethyl]phenol, Aldrichcpr

46. M-2928

47. 601d045

48. A801275

49. I01-0844

50. Q-101325

51. S01-0174

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 165.236 g/mol
Molecular Formula C10H15NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.115 g/mol
Monoisotopic Mass165.115 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count12
Formal Charge0
Complexity136
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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