CAS 2498-50-2

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Also known as: 2498-50-2, P-aminobenzamidine dihydrochloride, 4-aminobenzimidamide dihydrochloride, 4-amidinoaniline dihydrochloride, Benzenecarboximidamide, 4-amino-, dihydrochloride, 4-aminobenzamidine dihcl

Molecular Formula

C₇H₁₁Cl₂N₃

Molecular Weight

208.09 g/mol

InChI Key

GHEHNICLPWTXJC-UHFFFAOYSA-N

FDA UNII

3C7VNU62AG

1 2D Structure

CAS 2498-50-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-aminobenzenecarboximidamide;dihydrochloride

2.1.2 InChI

InChI=1S/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H

2.1.3 InChI Key

GHEHNICLPWTXJC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=N)N)N.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

3C7VNU62AG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2498-50-2

2. P-aminobenzamidine Dihydrochloride

3. 4-aminobenzimidamide Dihydrochloride

4. 4-amidinoaniline Dihydrochloride

5. Benzenecarboximidamide, 4-amino-, Dihydrochloride

6. 4-aminobenzamidine Dihcl

7. 4-aminobenzenecarboximidamide Dihydrochloride

8. 4-aminobenzamidine 2hcl

9. Benzamidine, P-amino-, Dihydrochloride

10. Mfcd00013001

11. 3c7vnu62ag

12. Benzenecarboximidamide, 4-amino-, Hydrochloride (1:2)

13. 4-aminobenzenecarboximidamide;dihydrochloride

14. Chebi:10618

15. Einecs 219-692-2

16. Nsc-56418

17. 4-aminobenzamidinedihydrochloride

18. Unii-3c7vnu62ag

19. 4-aminobenzenecarboximidamide,dihydrochloride

20. 4-aminobenzamidine Di-hcl

21. Schembl236095

22. Chembl1562872

23. Dtxsid10179695

24. 4-aminobenzamidine Hcl Salt

25. Act00225

26. Amy18264

27. Bcp12270

28. Tox21_500070

29. Nsc 56418

30. Akos008901225

31. Ab01119

32. Ccg-221374

33. Cs-w019509

34. Gs-3168

35. H98a502

36. Lp00070

37. 4-aminobenzamidine Dihydrochloride, 98%

38. Ncgc00093580-01

39. Ncgc00260755-01

40. Ac-29284

41. Bp-13026

42. Sy017964

43. Eu-0100070

44. Ft-0617552

45. St50825558

46. 4-aminobenzenecarboxamidine, Chloride, Chloride

47. A 7148

48. 4-aminobenzene-1-carboximidamide Dihydrochloride

49. Sr-01000075172

50. Sr-01000075172-1

51. Q27108667

52. 4-aminobenzamidine Dihydrochloride, Bioreagent, Suitable For Fluorescence, >=99.0% (tlc)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁Cl₂N₃
Molecular Weight	208.09 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	207.0330028 g/mol
Monoisotopic Mass	207.0330028 g/mol
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	125
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	3