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Overview of CAS 6933-47-7

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4CH-015567
PharmaCompass
  • Chemistry
4CH-015567
Also known as: 6933-47-7, 4-amino-2-methyl-benzoic acid methyl ester, Methyl4-amino-2-methylbenzoate, 4-amino-2-methylbenzoic acid methyl ester, Sbb053715, Benzoic acid, 4-amino-2-methyl-, methyl ester
Molecular Formula
C9H11NO2
Molecular Weight
165.192  g/mol
InChI Key
NRTWXBXJSGGTTE-UHFFFAOYSA-N

1 2D Structure

4CH-015567

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-amino-2-methylbenzoate
2.1.2 InChI
InChI=1S/C9H11NO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,10H2,1-2H3
2.1.3 InChI Key
NRTWXBXJSGGTTE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)N)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6933-47-7

2. 4-amino-2-methyl-benzoic Acid Methyl Ester

3. Methyl4-amino-2-methylbenzoate

4. 4-amino-2-methylbenzoic Acid Methyl Ester

5. Sbb053715

6. Benzoic Acid, 4-amino-2-methyl-, Methyl Ester

7. Mfcd08458829

8. Methyl 4-amino-2-methyl-benzoate

9. Pubchem13977

10. Ac1q41xg

11. Ksc629i2t

12. Schembl132755

13. Ctk5c9429

14. Dtxsid60470361

15. Molport-002-499-474

16. Nrtwxbxjsggtte-uhfffaoysa-n

17. Methyl 4-azanyl-2-methyl-benzoate

18. Wt088

19. 5-amino-2-(methoxycarbonyl)toluene

20. Act05107

21. 4-(methoxycarbonyl)-3-methylaniline

22. Anw-49585

23. Stl220828

24. Zinc15442543

25. Akos005258859

26. Am83064

27. As04604

28. Cs-w003522

29. Ds-1125

30. Mcule-7976786683

31. Rp02429

32. Rp22794

33. Ac-23049

34. Aj-67382

35. Ak-46101

36. Bc676769

37. Br-46101

38. Cj-15115

39. Kb-36290

40. Sc-71693

41. Sy030415

42. Ts-02209

43. Ab0026287

44. Db-032234

45. St2419566

46. Tc-138330

47. 4ch-015567

48. Ft-0630101

49. Tl80074022

50. W7917

51. 6933-47-7 Methyl 4-amino-2-methylbenzoate

52. Benzoic Acid,4-amino-2-methyl-, Methyl Ester

53. En300-68820

54. S-3855

55. 933m477

56. A836438

57. I01-7298

58. J-522289

59. Z1100275569

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 165.192 g/mol
Molecular Formula C9H11NO2
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass165.079 g/mol
Monoisotopic Mass165.079 g/mol
Topological Polar Surface Area52.3 A^2
Heavy Atom Count12
Formal Charge0
Complexity170
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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