CAS 6925-48-0

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Also known as: 6925-48-0, P-[(p-aminophenyl)azo]benzoic acid, 4-[(4-aminophenyl)diazenyl]benzoic acid, 4-(p-aminophenylazo)benzoic acid, 4-aminoazobenzene-4'-carboxylic acid, 4'-aminoazobenzene-4-carboxylic acid

Molecular Formula

C₁₃H₁₁N₃O₂

Molecular Weight

241.24 g/mol

InChI Key

KJNBDJZDRNLJJG-UHFFFAOYSA-N

1 2D Structure

CAS 6925-48-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(4-aminophenyl)diazenyl]benzoic acid

2.1.2 InChI

InChI=1S/C13H11N3O2/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17)18/h1-8H,14H2,(H,17,18)

2.1.3 InChI Key

KJNBDJZDRNLJJG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6925-48-0

2. P-[(p-aminophenyl)azo]benzoic Acid

3. 4-[(4-aminophenyl)diazenyl]benzoic Acid

4. 4-(p-aminophenylazo)benzoic Acid

5. 4-aminoazobenzene-4'-carboxylic Acid

6. 4'-aminoazobenzene-4-carboxylic Acid

7. Benzoic Acid, P-((p-aminophenyl)azo)-

8. P-((p-aminophenyl)azo)benzoic Acid

9. 259199-82-1

10. 4-((4-aminophenyl)diazenyl)benzoic Acid

11. Benzoic Acid, 4-((4-aminophenyl)azo)-

12. Benzoic Acid, 4-[(1e)-2-(4-aminophenyl)diazenyl]-

13. Benzoic Acid, P-[(p-aminophenyl)azo]-

14. Nsc60414

15. Einecs 230-047-4

16. Nsc 60414

17. Ai3-52563

18. Benzoic Acid, 4-(2-(4-aminophenyl)diazenyl)-

19. Schembl3994559

20. Dtxsid9064506

21. P-(p-aminophenylazo)benzoic Acid

22. P-(p-aminophenylazo) Benzoic Acid

23. Dtxsid201246122

24. Dtxsid801250197

25. Amy20774

26. Zinc4707411

27. Nsc-60414

28. Zinc17322332

29. 4-amino-4'-azobenzenecarboxylic Acid

30. Zinc100412109

31. 4-((4-aminophenyl)diazenyl)benzoicacid

32. 4-[(e)-(4-aminophenyl)azo]benzoic Acid

33. As-77652

34. Cs-0137346

35. D97227

36. 4-[(e)-(4-aminophenyl)diazenyl]benzoic Acid #

37. 4-[(1e)-2-(4-aminophenyl)diazenyl]benzoic Acid

38. 4-[(1z)-2-(4-aminophenyl)diazenyl]benzoic Acid

39. 787529-91-3

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₁N₃O₂
Molecular Weight	241.24 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	241.085126602 g/mol
Monoisotopic Mass	241.085126602 g/mol
Topological Polar Surface Area	88 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
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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