CAS 603-76-9

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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

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 Formula	C₉H₉N
Molecular Weight	131.17 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	131.073499291 g/mol
Monoisotopic Mass	131.073499291 g/mol
Topological Polar Surface Area	4.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1