CAS 504-08-5

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Also known as: 504-08-5, 2,4-diamino-1,3,5-triazine, Formoguanamine, Guanamine, 4,6-diamino-s-triazine, Diamino-s-triazine

Molecular Formula

C₃H₅N₅

Molecular Weight

111.11 g/mol

InChI Key

VZXTWGWHSMCWGA-UHFFFAOYSA-N

FDA UNII

A6GN3JB7H4

1 2D Structure

CAS 504-08-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,5-triazine-2,4-diamine

2.1.2 InChI

InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)

2.1.3 InChI Key

VZXTWGWHSMCWGA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC(=NC(=N1)N)N

2.2 Other Identifiers

2.2.1 UNII

A6GN3JB7H4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4-diamino-s-triazine

2. Formoguanamine

2.3.2 Depositor-Supplied Synonyms

1. 504-08-5

2. 2,4-diamino-1,3,5-triazine

3. Formoguanamine

4. Guanamine

5. 4,6-diamino-s-triazine

6. Diamino-s-triazine

7. 2,6-diamino-s-triazine

8. 2,4-diamino-s-triazine

9. S-triazine, 2,4-diamino-

10. Nsc 251

11. A6gn3jb7h4

12. Nsc-251

13. Einecs 207-983-7

14. S-triazine,4-diamino-

15. Ai3-51263

16. Unii-a6gn3jb7h4

17. Schembl65511

18. Yswg323

19. 1,5-triazine-2,4-diamine

20. Fmoc-(3-aminophenyl)aceticacid

21. Nsc251

22. 2,4-diaminotriazine (related)

23. Dtxsid7074292

24. Chebi:38071

25. [1,3,5]triazine-2,4-diamine

26. Albb-014718

27. Zinc1445475

28. Mfcd00014598

29. Stk256616

30. Akos005174532

31. Sb73700

32. As-48301

33. Cs-0110380

34. D2227

35. Ft-0609961

36. D-2227

37. F30229

38. A871573

39. Q27117366

40. Zzs

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₅N₅
Molecular Weight	111.11 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	111.05449518 g/mol
Monoisotopic Mass	111.05449518 g/mol
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.1
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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