CAS 99-03-6

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Also known as: 1-(3-aminophenyl)ethanone, 99-03-6, M-aminoacetophenone, 3-acetylaniline, 3-aminoacetophenone, Ethanone, 1-(3-aminophenyl)-

Molecular Formula

C₈H₉NO

Molecular Weight

135.16 g/mol

InChI Key

CKQHAYFOPRIUOM-UHFFFAOYSA-N

1 2D Structure

CAS 99-03-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-aminophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3

2.1.3 InChI Key

CKQHAYFOPRIUOM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC(=CC=C1)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 3-aminoacetophenone

2. M-aminoacetophenone

3. Meta-aminoacetophenone

2.2.2 Depositor-Supplied Synonyms

1. 1-(3-aminophenyl)ethanone

2. 99-03-6

3. M-aminoacetophenone

4. 3-acetylaniline

5. 3-aminoacetophenone

6. Ethanone, 1-(3-aminophenyl)-

7. M-acetylaniline

8. 1-(3-aminophenyl)ethan-1-one

9. M-aminoacetylbenzene

10. Acetophenone, 3'-amino-

11. Acetophenone, M-amino-

12. 3-aminoacetofenon

13. Nsc 7637

14. .beta.-aminoacetophenone

15. Mfcd00007796

16. 1-(3-amino-phenyl)-ethanone

17. Chembl3408644

18. Beta-aminoacetophenone

19. 3-aminoacetofenon [czech]

20. Einecs 202-722-3

21. Brn 0386009

22. Ai3-14674

23. 3-acetylphenylamine

24. 3-acetyl-phenylamine

25. 3-amino Acetophenone

26. Meta-aminoacetophenone

27. 3'-amino-acetophenone

28. Wln: Zr Cv1

29. Acetophenone,3-amino

30. 1-(3-aminophenyl)-ethanone

31. 3'-aminoacetophenone, 97%

32. 4-14-00-00096 (beilstein Handbook Reference)

33. Schembl330495

34. 1-(3-aminophenyl)-1-ethanone

35. Dtxsid0021830

36. Amy4151

37. Nsc7637

38. Chebi:182866

39. Zinc157542

40. 3-aminophenyl Methyl Ketone

41. Nsc-7637

42. Str02986

43. Bdbm50546257

44. Stl168894

45. Akos000119494

46. Cs-w013353

47. Sy001475

48. Db-029992

49. A0249

50. Ft-0615018

51. 3 Inverted Exclamation Mark -aminoacetophenone

52. 3 Inverted Exclamation Marka-aminoacetophenone

53. 99a036

54. D70852

55. W-100056

56. Q27453668

57. Z57127443

58. F2146-0312

59. 3ao

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO
Molecular Weight	135.16 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.068413911 g/mol
Monoisotopic Mass	135.068413911 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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