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Technical details about CAS 3430-27-1, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 3430-27-1, 4-methylpyridin-3-amine, 3-pyridinamine, 4-methyl-, 3-amino-4-picoline, 3-amino-4-methyl pyridine, 4-methyl-pyridin-3-ylamine
Molecular Formula
C6H8N2
Molecular Weight
108.14  g/mol
InChI Key
IBKMZYWDWWIWEL-UHFFFAOYSA-N
FDA UNII
9HN55RQ07B

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methylpyridin-3-amine
2.1.2 InChI
InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3
2.1.3 InChI Key
IBKMZYWDWWIWEL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=NC=C1)N
2.2 Other Identifiers
2.2.1 UNII
9HN55RQ07B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-amino-4-picoline

2.3.2 Depositor-Supplied Synonyms

1. 3430-27-1

2. 4-methylpyridin-3-amine

3. 3-pyridinamine, 4-methyl-

4. 3-amino-4-picoline

5. 3-amino-4-methyl Pyridine

6. 4-methyl-pyridin-3-ylamine

7. 4-methylpyridine-3-amine

8. Mfcd00128871

9. 9hn55rq07b

10. 4-methyl-3-pyridinamine

11. 4-methylpyridin-3-ylamine

12. Unii-9hn55rq07b

13. 5-amino-4-picoline

14. 3-amino-4-methyl-pyridin

15. 3-amino-4-methyl-pyridine

16. Schembl295409

17. Ibkmzywdwwiwel-uhfffaoysa-

18. Dtxsid20187867

19. 3-amino-4-methylpyridine, 97%

20. Act01358

21. Bcp22220

22. Cs-d0914

23. Str08775

24. Zinc2582043

25. Akos002666150

26. Ac-1106

27. Pb14127

28. Ps-9289

29. Sy004420

30. Db-005271

31. A6041

32. Am20051096

33. Ft-0614991

34. Ft-0650363

35. En300-51191

36. 430a271

37. A904449

38. Af-807/00322016

39. J-400347

40. Q27272571

41. F1957-0029

42. Z1245635735

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 108.14 g/mol
Molecular Formula C6H8N2
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass108.068748264 g/mol
Monoisotopic Mass108.068748264 g/mol
Topological Polar Surface Area38.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1