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Also known as: 1-methyl-1h-indole, 603-76-9, N-methylindole, 1h-indole, 1-methyl-, Indole, 1-methyl-, 1-methylindol
Molecular Formula
C9H9N
Molecular Weight
131.17  g/mol
InChI Key
BLRHMMGNCXNXJL-UHFFFAOYSA-N
FDA UNII
8H698ROJ5F

CAS 603-76-9
1 2D Structure

CAS 603-76-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methylindole
2.1.2 InChI
InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
2.1.3 InChI Key
BLRHMMGNCXNXJL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C=CC2=CC=CC=C21
2.2 Other Identifiers
2.2.1 UNII
8H698ROJ5F
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-methylindole Monopicrate

2.3.2 Depositor-Supplied Synonyms

1. 1-methyl-1h-indole

2. 603-76-9

3. N-methylindole

4. 1h-indole, 1-methyl-

5. Indole, 1-methyl-

6. 1-methylindol

7. N-methyl Indole

8. Nsc 212534

9. Chembl19912

10. 8h698roj5f

11. Nsc-212534

12. 1-methylindole (n-)

13. Unii-8h698roj5f

14. N-methylindol

15. 1-methyl Indole

16. 1-methyl-indole

17. N- Methyl Indole

18. Einecs 210-057-5

19. Mfcd00005800

20. 1-methylindole, >=97%

21. Schembl29812

22. Dtxsid3060534

23. Amy2876

24. Act06917

25. Bcp26400

26. Zinc1750961

27. Bbl100303

28. Bdbm50098763

29. Mfcd31699943

30. Mfcd31699944

31. Mfcd31699945

32. Mfcd31699946

33. Mfcd31699947

34. Nsc212534

35. Stl553897

36. Akos005198531

37. Cs-w008981

38. Pb48626

39. Ac-19059

40. As-11848

41. Sy246277

42. Sy246324

43. Sy246325

44. Sy246326

45. Sy246327

46. Db-011620

47. Ft-0602384

48. M0561

49. A15681

50. F11257

51. M-3893

52. Q4545796

53. F0001-1582

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 131.17 g/mol
Molecular Formula C9H9N
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass131.073499291 g/mol
Monoisotopic Mass131.073499291 g/mol
Topological Polar Surface Area4.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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