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2D Structure
Also known as: 24596-19-8, 4-bromo-2,6-xylidine, Benzenamine, 4-bromo-2,6-dimethyl-, 4-bromo-2,6-dimethyl-phenylamine, 2,6-dimethyl-4-bromoaniline, 4-bromo-2,6-dimethylbenzenamine
Molecular Formula
C8H10BrN
Molecular Weight
200.08  g/mol
InChI Key
QGLAYJCJLHNIGJ-UHFFFAOYSA-N
FDA UNII
9W5K8J5F6B

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-2,6-dimethylaniline
2.1.2 InChI
InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
2.1.3 InChI Key
QGLAYJCJLHNIGJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CC(=C1N)C)Br
2.2 Other Identifiers
2.2.1 UNII
9W5K8J5F6B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 24596-19-8

2. 4-bromo-2,6-xylidine

3. Benzenamine, 4-bromo-2,6-dimethyl-

4. 4-bromo-2,6-dimethyl-phenylamine

5. 2,6-dimethyl-4-bromoaniline

6. 4-bromo-2,6-dimethylbenzenamine

7. 4-bromo-2,6-dimethylphenylamine

8. 9w5k8j5f6b

9. Nsc-227944

10. En300-31727

11. 4-bromo-2,6-dimethyl-aniline

12. (4-bromo-2,6-dimethylphenyl)amine

13. Einecs 246-337-9

14. Nsc227944

15. 2,6-xylidine, 4-bromo-

16. 4-bromo-2,6dimethylaniline

17. Unii-9w5k8j5f6b

18. Schembl146892

19. 4-bromo-2,6-di-methylaniline

20. Dtxsid40179345

21. 4-bromo-2,6-dimethyl Phenylamine

22. Aniline, 4-bromo-2,6-dimethyl-

23. Bdbm626140

24. Albb-025703

25. Cl4142

26. Mfcd00007826

27. Stk345441

28. 4-bromo-2,6-dimethylaniline, 98%

29. Akos000111247

30. Ac-3649

31. Cs-w019870

32. Nsc 227944

33. Ps-6202

34. Sb77433

35. 4-bromo-2,6-dimethylphenylamine (4-bromo-2,6-dimethylaniline; 4-bromo-2,6-xylidine)

36. Db-023849

37. Am20030446

38. B1909

39. Ns00027700

40. A930322

41. An-652/40879414

42. W-107297

43. Q63398931

44. Z335243396

45. Inchi=1/c8h10brn/c1-5-3-7(9)4-6(2)8(5)10/h3-4h,10h2,1-2h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 200.08 g/mol
Molecular Formula C8H10BrN
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26
Heavy Atom Count10
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1