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Technical details about CAS-41340-36-7, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 41340-36-7, 7-ethyltryptophol, 7-ethyl tryptophol, 7-ethyl-3-indoleethanol, 7-ethyl-1h-indole-3-ethanol, 1h-indole-3-ethanol, 7-ethyl-
Molecular Formula
C12H15NO
Molecular Weight
189.25  g/mol
InChI Key
UVSDNCAZVSQJQA-UHFFFAOYSA-N
FDA UNII
JJ4LB8KM8O

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(7-ethyl-1H-indol-3-yl)ethanol
2.1.2 InChI
InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3
2.1.3 InChI Key
UVSDNCAZVSQJQA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C2C(=CC=C1)C(=CN2)CCO
2.2 Other Identifiers
2.2.1 UNII
JJ4LB8KM8O
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 41340-36-7

2. 7-ethyltryptophol

3. 7-ethyl Tryptophol

4. 7-ethyl-3-indoleethanol

5. 7-ethyl-1h-indole-3-ethanol

6. 1h-indole-3-ethanol, 7-ethyl-

7. 2-(7-ethyl-1h-indol-3-yl)-ethanol

8. 7-ethyl-3-(2-hydroxyethyl)indole

9. Jj4lb8km8o

10. 2-(7-ethylindol-3-yl)ethanol

11. Ccris 5406

12. Rak-801

13. Brn 1074382

14. Etodolac Impurity H

15. 2-(7-ethyl-1h-indol-3-yl)ethan-1-ol

16. 7-ethylindole-3-ethanol

17. Unii-jj4lb8km8o

18. 3-(7-ethylindole)ethanol

19. Ec 431-020-1

20. Dsstox_cid_31530

21. Dsstox_rid_97415

22. Dsstox_gsid_57741

23. Schembl4803022

24. Chembl3182675

25. Dtxsid1057741

26. Zinc2383204

27. Tox21_113757

28. 7-ethyl-3-(2-hydroxy Ethyl)indole

29. Mfcd01718805

30. Akos005259419

31. 2-(3a-ethyl-3ah-indol-3-yl)ethanol

32. Ac-7753

33. Sb37105

34. Ncgc00253629-01

35. As-12049

36. Cas-41340-36-7

37. Db-049741

38. E0824

39. Ft-0639708

40. E-9050

41. F20442

42. 340e367

43. A825522

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 189.25 g/mol
Molecular Formula C12H15NO
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass189.115364102 g/mol
Monoisotopic Mass189.115364102 g/mol
Topological Polar Surface Area36 Ų
Heavy Atom Count14
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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