CAS 3430-27-1

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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

CAS 3430-27-1

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 Formula	C₆H₈N₂
Molecular Weight	108.14 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	108.068748264 g/mol
Monoisotopic Mass	108.068748264 g/mol
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.9
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