CAS 6628-04-2

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Also known as: 2-methylquinolin-4-amine, 6628-04-2, 4-amino-2-methylquinoline, 4-quinolinamine, 2-methyl-, 2-methyl-4-aminoquinoline, 4-quinaldinamine

Molecular Formula

C₁₀H₁₀N₂

Molecular Weight

158.20 g/mol

InChI Key

COCFIBRMFPWUDW-UHFFFAOYSA-N

FDA UNII

5YZ7028HHH

1 2D Structure

CAS 6628-04-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methylquinolin-4-amine

2.1.2 InChI

InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)

2.1.3 InChI Key

COCFIBRMFPWUDW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC2=CC=CC=C2C(=C1)N

2.2 Other Identifiers

2.2.1 UNII

5YZ7028HHH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-amino-2-methylquinoline

2. 4-aq(a)

2.3.2 Depositor-Supplied Synonyms

1. 2-methylquinolin-4-amine

2. 6628-04-2

3. 4-amino-2-methylquinoline

4. 4-quinolinamine, 2-methyl-

5. 2-methyl-4-aminoquinoline

6. 4-quinaldinamine

7. 2-methyl-4-quinolinamine

8. (2-methylquinolin-4-yl)amine

9. 5yz7028hhh

10. Mfcd00006759

11. Nsc-60281

12. 4-?aminoquinaldine

13. 4-aminoquinaldine 4

14. 4-aminoquinaldine, 98%

15. 4-amino-2-methylchinoline

16. 2-methylquinolin-4-ylamine

17. 2-methyl -4-aminoquinoline

18. Unii-5yz7028hhh

19. 2-methyl-4-quinolinamine #

20. Mls001003983

21. Quinaldine, 4-amino-

22. Chembl595536

23. F0451-0865

24. Schembl1120035

25. Bdbm10443

26. Dtxsid50216477

27. Hms1611l09

28. Hms2689m11

29. Amy10952

30. Bcp21275

31. Nsc60281

32. 2-methyl-quinolin-4-ylamine

33. Einecs 229-604-4

34. Nsc 60281

35. Akos000119643

36. Ab00806

37. Cs-w017955

38. Ncgc00246039-01

39. As-58187

40. Smr000347722

41. Sy020334

42. A0415

43. Eu-0007764

44. Ft-0603760

45. Ns00006094

46. En300-16978

47. D77818

48. Ec 229-604-4

49. Ae-848/31925049

50. J-514465

51. J-650288

52. Q27462921

53. Z56851231

54. 4-aminoquinaldine, Matrix Substance For Maldi-ms, >=99.0% (hplc)

55. M4a

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀N₂
Molecular Weight	158.20 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.9
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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