CAS 91-62-3

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Also known as: 91-62-3, Quinoline, 6-methyl-, P-toluquinoline, 6-methyl-quinoline, Tolliquinoline, p-, Fema no. 2744

Molecular Formula

C₁₀H₉N

Molecular Weight

143.18 g/mol

InChI Key

LUYISICIYVKBTA-UHFFFAOYSA-N

FDA UNII

K14453I13N

6-methylquinoline is a natural product found in Camellia sinensis with data available.

1 2D Structure

CAS 91-62-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methylquinoline

2.1.2 InChI

InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3

2.1.3 InChI Key

LUYISICIYVKBTA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(C=C1)N=CC=C2

2.2 Other Identifiers

2.2.1 UNII

K14453I13N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 91-62-3

2. Quinoline, 6-methyl-

3. P-toluquinoline

4. 6-methyl-quinoline

5. Tolliquinoline, P-

6. Fema No. 2744

7. Ccris 407

8. Nsc 4152

9. 6-methyl Quinoline

10. Nsc-4152

11. Quinoline, 6-methyl- (8ci,9ci)

12. K14453i13n

13. Dsstox_cid_887

14. Dsstox_rid_75844

15. Dsstox_gsid_20887

16. Cas-91-62-3

17. Einecs 202-084-6

18. Brn 0110336

19. Ai3-08869

20. P-tolliquinoline

21. Unii-k14453i13n

22. 6-methylquinoline, 98%

23. Methylquinoline, 6-

24. 5-20-07-00400 (beilstein Handbook Reference)

25. Mls002303009

26. Schembl130884

27. Nistc91623

28. Chembl1412508

29. Dtxsid3020887

30. Fema 2744

31. 6-methylquinoline [fhfi]

32. Nsc4152

33. Chebi:140761

34. 6-methylquinoline, >=98%, Fg

35. Hms3039c14

36. Act01960

37. Amy13382

38. Zinc8580042

39. Tox21_202379

40. Tox21_300320

41. Mfcd00006804

42. 6-methylquinoline, Analytical Standard

43. Akos005207038

44. Ac-5219

45. Ncgc00091226-01

46. Ncgc00091226-02

47. Ncgc00091226-03

48. Ncgc00253998-01

49. Ncgc00259928-01

50. As-11473

51. Smr001307317

52. Db-011140

53. Bb 0260887

54. Ft-0621247

55. M0416

56. En300-28823

57. Ac-907/25014269

58. J-518932

59. Q27281809

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉N
Molecular Weight	143.18 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	143.073499291 g/mol
Monoisotopic Mass	143.073499291 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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

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