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Technical details about CAS 2941-78-8, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 2941-78-8, 5-methylanthranilic acid, 6-amino-m-toluic acid, Benzoic acid, 2-amino-5-methyl-, M-toluic acid, 6-amino-, 2-amino-5-methylbenzoicacid
Molecular Formula
C8H9NO2
Molecular Weight
151.16  g/mol
InChI Key
NBUUUJWWOARGNW-UHFFFAOYSA-N
FDA UNII
418XAJ22V2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-methylbenzoic acid
2.1.2 InChI
InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
2.1.3 InChI Key
NBUUUJWWOARGNW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C=C1)N)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
418XAJ22V2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2941-78-8

2. 5-methylanthranilic Acid

3. 6-amino-m-toluic Acid

4. Benzoic Acid, 2-amino-5-methyl-

5. M-toluic Acid, 6-amino-

6. 2-amino-5-methylbenzoicacid

7. 2-amino-5-methyl-benzoic Acid

8. Mfcd00007909

9. 5-methyl-2-aminobenzoic Acid

10. 2-azanyl-5-methyl-benzoic Acid

11. 418xaj22v2

12. Nsc-39154

13. Nsc-50786

14. 5-methylanthranilate

15. 2-carboxy-4-methylaniline

16. Unii-418xaj22v2

17. 2-amino-5-methyl Benzoic Acid

18. Einecs 220-932-3

19. 5-methyl-anthranilic Acid

20. 2-amino-5-metylbenzoic Acid

21. 2-amino 5-methylbenzoic Acid

22. 5-methyl 2-aminobenzoic Acid

23. Schembl221528

24. 2 Amino-5-methyl Benzoic Acid

25. Dtxsid40183629

26. Zinc152954

27. Act07704

28. Albb-006381

29. Bcp24480

30. Nsc39154

31. Nsc50786

32. Nsc 39154

33. Nsc 50786

34. Stk500243

35. 2-amino-5-methylbenzoic Acid, 99%

36. Akos000275369

37. Ac-2790

38. Cs-w002036

39. Ps-4160

40. Sb75721

41. Bp-12775

42. Sy002917

43. Db-031100

44. Am20050530

45. Ft-0602780

46. En300-30694

47. 41a788

48. Q-103156

49. Q27258423

50. F1943-0103

51. Z111833788

52. 5m0

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 151.16 g/mol
Molecular Formula C8H9NO2
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass151.063328530 g/mol
Monoisotopic Mass151.063328530 g/mol
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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