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CAS 521-31-3

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Also known as: 3-aminophthalhydrazide, 521-31-3, 5-amino-2,3-dihydrophthalazine-1,4-dione, 5-amino-2,3-dihydro-1,4-phthalazinedione, 3-aminophthalic hydrazide, 1,4-phthalazinedione, 5-amino-2,3-dihydro-

Molecular Formula

C₈H₇N₃O₂

Molecular Weight

177.16 g/mol

InChI Key

HWYHZTIRURJOHG-UHFFFAOYSA-N

FDA UNII

5EXP385Q4F

5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.

1 2D Structure

CAS 521-31-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-amino-2,3-dihydrophthalazine-1,4-dione

2.1.2 InChI

InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)

2.1.3 InChI Key

HWYHZTIRURJOHG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C(=C1)N)C(=O)NNC2=O

2.2 Other Identifiers

2.2.1 UNII

5EXP385Q4F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3-aminophthalhydrazide

2. 521-31-3

3. 5-amino-2,3-dihydrophthalazine-1,4-dione

4. 5-amino-2,3-dihydro-1,4-phthalazinedione

5. 3-aminophthalic Hydrazide

6. 1,4-phthalazinedione, 5-amino-2,3-dihydro-

7. 5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione

8. 3-aminophthalic Acid Hydrazide

9. 3-aminophthalylhydrazide

10. Nsc 5064

11. Nsc5064

12. 5-amino-2,3-dihydro-phthalazine-1,4-dione

13. Mfcd00006890

14. 5-aminophthalazine-1,4-diol

15. 5-amino-2,3-dihydro-1,4-phthalazinedone

16. Mls002637790

17. 1,2-benzenedicarboxylic Acid, 3-amino-, Cyclic Hydrazide

18. 5exp385q4f

19. Chembl442329

20. Nsc-5064

21. O-aminophthalylhydrazide

22. Ccris 5962

23. Einecs 208-309-4

24. O-aminophthaloyl Hydrazide

25. Unii-5exp385q4f

26. Ai3-52555

27. Luminol, 97%

28. Monosodium-alpha-luminol

29. 3-aminophthaloylhydrazine

30. Luminol [mi]

31. 20666-12-0

32. Dsstox_cid_4504

33. Luminol, Saj Special Grade

34. Dsstox_rid_77433

35. Dsstox_gsid_24504

36. Oprea1_698774

37. Oprea1_819727

38. Schembl20086

39. 3-aminophthalhydrazine

40. 5-amino-1,4-phthalazinediol

41. 1, 5-amino-2,3-dihydro-

42. Luminol, >=97% (hplc)

43. Dtxsid5024504

44. 1, 3-amino-, Cyclic Hydrazide

45. 1h-1,2,4-triazole,3-iodo-

46. 5-amino-1,4-dihydroxyphthalazine

47. Hms3093k04

48. Albb-019203

49. Bcp18652

50. Str04818

51. Tox21_200940

52. Bbl002758

53. Bdbm50125759

54. S6819

55. Stk138069

56. Stl280212

57. Zinc12405253

58. Akos000111313

59. Akos002945870

60. Akos016399881

61. Sdccgmls-0065581.p001

62. 5-amino-4-hydroxyphthalazin-1(2h)-one

63. Ncgc00091452-01

64. Ncgc00091452-02

65. Ncgc00258494-01

66. Ac-13306

67. Ac-33248

68. Cas-521-31-3

69. Hy-15922

70. Smr001547307

71. Sy011102

72. Bb 0245795

73. Eu-0066798

74. Ft-0615056

75. En300-16893

76. L-8600

77. L-8601

78. L-8610

79. 521a313

80. A814795

81. A828942

82. Luminol, For Chemiluminescence, >=98.0% (hplc)

83. Q408061

84. Sr-01000389300

85. 5-amino-1,2,3,4-tetrahydro-1,4-phthalazinedione

86. Sr-01000389300-1

87. Z56813244

88. F1313-0002

89. 5-amino-2,3-dihydrophthalazine-1,4-dione;luminol Sodium Salt

90. (e)-4-oxo-4-(3-triethoxysilylpropylamino)but-2-enoic Acid;luminol

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇N₃O₂
Molecular Weight	177.16 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.053826475 g/mol
Monoisotopic Mass	177.053826475 g/mol
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	254
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Indicators and Reagents

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

Luminescent Agents

Compound such as LUMINESCENT PROTEINS that cause or emit light (PHYSICAL LUMINESCENCE). (See all compounds classified as Luminescent Agents.)

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