Please Wait
Applying Filters...
Xls
2D Structure
Also known as: Solvent yellow 5, 85-84-7, C.i. food yellow 10, Grasal yellow, Jaune ab, Oil yellow ab
Molecular Formula
C16H13N3
Molecular Weight
247.29  g/mol
InChI Key
KLCDQSGLLRINHY-UHFFFAOYSA-N
FDA UNII
3VSI4D701X

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-phenyldiazenylnaphthalen-2-amine
2.1.2 InChI
InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2
2.1.3 InChI Key
KLCDQSGLLRINHY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)N
2.2 Other Identifiers
2.2.1 UNII
3VSI4D701X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-phenylazo-2-naphthylamine

2.3.2 Depositor-Supplied Synonyms

1. Solvent Yellow 5

2. 85-84-7

3. C.i. Food Yellow 10

4. Grasal Yellow

5. Jaune Ab

6. Oil Yellow Ab

7. 1-(phenylazo)-2-naphthylamine

8. Oil Yellow A

9. Cerisol Yellow Ab

10. Dolkwal Yellow Ab

11. C.i. Solvent Yellow 5

12. Yellow No. 2

13. Fd And C Yellow No. 3

14. Fd & C Yellow 3

15. Oil Yellow Ab Pure

16. 1-benzeneazo-2-naphthylamine

17. Zlut Maselna Ab

18. 2-naphthalenamine, 1-(phenylazo)-

19. A.f. Yellow No. 2

20. 1-(phenylazo)-2-naphthalenamine

21. 2-naphthylamine, 1-(phenylazo)-

22. 1-phenylazo-2-naphthylamine

23. Zlut Rozpoustedlova 5

24. C.i. 11380

25. Nsc 11228

26. Oil Yellow Ab, Pure

27. (e)-1-(phenyldiazenyl)naphthalen-2-amine

28. Mls002638198

29. 3vsi4d701x

30. Ext. D And C Yellow No. 9

31. Chebi:82554

32. 1-benzeneazo-.beta.-naphthylamine

33. 1-(phenyldiazenyl)naphthalen-2-amine

34. Nsc-11228

35. 2-naphthalenamine, 1-(2-phenyldiazenyl)-

36. Af Yellow No. 2

37. Ci Solvent Yellow 5

38. 1-(phenylazo)naphthalen-2-amine

39. Zlut Maselna Ab [czech]

40. Ext D And C Yellow No. 9

41. Ccris 3193

42. Zlut Rozpoustedlova 5 [czech]

43. 1-benzene-azo-beta-naphthylamine

44. Hsdb 1041

45. 1-phenyldiazenylnaphthalen-2-amine

46. Einecs 201-636-3

47. Azo Benzene 1-naphthalene, 2'-amino-

48. Brn 1842536

49. Unii-3vsi4d701x

50. Ci 11380

51. 1-phenylazonaphthalen-2-amine

52. Ai3-09035

53. A.f. Yellow No.2

54. Yellow Ab [mi]

55. Yellow Ab [iarc]

56. Chembl86177

57. Schembl295204

58. Schembl295205

59. Ki404 [inci]

60. Wln: L66j Bnunr& Cz

61. Chembl1734418

62. Dtxsid0058932

63. Hms3080k05

64. Ki404

65. Nsc11228

66. (e)-1-(phenylazo)-2-naphthylamine

67. Zinc17970534

68. 1-[(e)-phenylazo]naphthalen-2-amine

69. Akos004120651

70. Akos016037985

71. Zinc100037089

72. Zinc253618217

73. C.i. Food Yellow 10 [hsdb]

74. 1-(2-phenyldiazenyl)-2-naphthalenamine

75. 1-(phenyldiazenyl)-2-naphthalenamine #

76. Fd&c Yellow No. 3 (delisted)

77. Smr001547687

78. C.i.11380

79. 1-(phenylazo)-2-naphthylamine [ii]

80. Ft-0608255

81. C19552

82. 085y847

83. Q26841219

84. Q27156064

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 247.29 g/mol
Molecular Formula C16H13N3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass247.110947427 g/mol
Monoisotopic Mass247.110947427 g/mol
Topological Polar Surface Area50.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

The color accumulates in fatty tissues of the body after its sc injection and is eliminated slowly: thus, 250 mg/kg bw /yellow Ab/ administered to rabbits /was/ excreted 17 days later in urine.

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V8 282 (1975)