CAS 586-77-6

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Also known as: 586-77-6, N,n-dimethyl-p-bromoaniline, P-bromo-n,n-dimethylaniline, 4-dimethylaminobromobenzene, Benzenamine, 4-bromo-n,n-dimethyl-, N,n-dimethyl-4-bromoaniline

Molecular Formula

C₈H₁₀BrN

Molecular Weight

200.08 g/mol

InChI Key

XYZWMVYYUIMRIZ-UHFFFAOYSA-N

1 2D Structure

CAS 586-77-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-N,N-dimethylaniline

2.1.2 InChI

InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3

2.1.3 InChI Key

XYZWMVYYUIMRIZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)C1=CC=C(C=C1)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 586-77-6

2. N,n-dimethyl-p-bromoaniline

3. P-bromo-n,n-dimethylaniline

4. 4-dimethylaminobromobenzene

5. Benzenamine, 4-bromo-n,n-dimethyl-

6. N,n-dimethyl-4-bromoaniline

7. P-(dimethylamino)phenyl Bromide

8. P-dimethylaminobromobenzene

9. 1-bromo-4-(dimethylamino)benzene

10. P-bromo(dimethylamino)benzene

11. P-n,n-dimethylaminobromobenzene

12. 4-(dimethylamino)phenyl Bromide

13. Aniline, P-bromo-n,n-dimethyl-

14. Nsc 8056

15. Mfcd00000093

16. N-(4-bromophenyl)-n,n-dimethylamine

17. Aniline, 4-bromo-n,n-dimethyl-

18. Einecs 209-582-2

19. (4-bromophenyl)dimethylamine

20. 4-bromo-n,n-dimethyl Aniline

21. 4-bromo-n,n-dimethyl-aniline

22. (4-bromo-phenyl)-dimethyl-amine

23. Unii-k49zs2e9kx

24. K49zs2e9kx

25. 4-dimethylaminophenyl Bromide

26. Schembl59844

27. Wln: Er Dn1&1

28. 4-dimethylamino-1-bromobenzene

29. 4-bromo-n,n-dimethylbenzenamine

30. Chembl3098160

31. Dtxsid2060414

32. 4-bromo-n,n-dimethyl-benzenamine

33. Nsc8056

34. Zinc330697

35. Bcp30666

36. Nsc-8056

37. 4-bromo-n,n-dimethylaniline, 97%

38. Akos005256709

39. Cs-w010495

40. Sb77477

41. Ac-22962

42. Ds-14421

43. Sy013736

44. Db-053244

45. A8294

46. Am20060845

47. B0585

48. Ft-0617904

49. En300-19549

50. D70593

51. Ac-509/25001966

52. W-105368

53. F9995-1667

54. N,n-dimethyl-p-bromoaniline Pound>>4-dimethylaminobromobenzene Pound>>p-bromo-n,n-dimethylaniline

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀BrN
Molecular Weight	200.08 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	198.99966 g/mol
Monoisotopic Mass	198.99966 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.4
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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