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Overview of CAS 6933-10-4

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4CH-011002
PharmaCompass
  • Chemistry
4CH-011002
Also known as: 4-bromo-3-methylaniline, 6933-10-4, 5-amino-2-bromotoluene, 3-methyl-4-bromoaniline, Benzenamine, 4-bromo-3-methyl-, 4-bromo-3-methyl-phenylamine
Molecular Formula
C7H8BrN
Molecular Weight
186.052  g/mol
InChI Key
MMEGELSFOYDPQW-UHFFFAOYSA-N

1 2D Structure

4CH-011002

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-3-methylaniline
2.1.2 InChI
InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
2.1.3 InChI Key
MMEGELSFOYDPQW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)N)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-bromo-3-methylaniline

2. 6933-10-4

3. 5-amino-2-bromotoluene

4. 3-methyl-4-bromoaniline

5. Benzenamine, 4-bromo-3-methyl-

6. 4-bromo-3-methyl-phenylamine

7. 4-bromo-3-methyl-aniline

8. 4-bromo-3-methylbenzenamine

9. Mmegelsfoydpqw-uhfffaoysa-n

10. Mfcd00007828

11. Sbb040486

12. 4-bromo-3-methylphenylamine

13. Pubchem4339

14. 4-bromo3-methylaniline

15. 2-bromo-5-aminotoluene

16. M-toluidine, 4-bromo-

17. Acmc-1b9jl

18. 4-bromo-3-methyl Aniline

19. Ac1l2m6j

20. Ac1q2d3x

21. 4- Bromo-3-methyl-aniline

22. Ksc494c7d

23. Schembl114855

24. (4-bromo-3-methylphenyl)amine

25. Tpc-i124

26. 4-bromo-3-methylaniline, 97%

27. Ctk3j4171

28. Ks-00000wvm

29. Ks-00003qob

30. Mmegelsfoydpqw-uhfffaoysa-

31. Dtxsid10219383

32. Molport-000-141-679

33. Zinc152873

34. Act11538

35. Einecs 230-056-3

36. Anw-14073

37. Stl169146

38. Akos000119547

39. Ac-3718

40. Am61648

41. As04116

42. As06933

43. Cs-w007472

44. Mcule-8473899903

45. Ne10516

46. Ps-3030

47. Rp03422

48. Rtr-037508

49. Vz28531

50. Aj-12833

51. Ak-46353

52. An-12704

53. B182

54. Bc002764

55. Bp-10165

56. Br-46353

57. Kb-37187

58. L657

59. Sc-06296

60. Zb005277

61. Db-023646

62. Kb-190128

63. Kb-196606

64. Kb-228952

65. Kb-236576

66. Tr-037508

67. 4ch-011002

68. Ft-0081845

69. Ft-0612048

70. St24023366

71. St50213809

72. A19787

73. 179946-ep2272817a1

74. 179946-ep2272832a1

75. I01-4557

76. I01-7697

77. W-204300

78. F2190-0485

79. Z1250100730

80. Inchi=1/c7h8brn/c1-5-4-6(9)2-3-7(5)8/h2-4h,9h2,1h3

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 186.052 g/mol
Molecular Formula C7H8BrN
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass184.984 g/mol
Monoisotopic Mass184.984 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count9
Formal Charge0
Complexity94.9
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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