CAS 2941-78-8

Chemistry

Chemistry

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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

CAS 2941-78-8

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 Formula	C₈H₉NO₂
Molecular Weight	151.16 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.063328530 g/mol
Monoisotopic Mass	151.063328530 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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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CAS 2941-78-8

CAS 2941-78-8

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