CAS 6928-85-4

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2 End Use APIs
1 Related Intermediates

Chemistry

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Also known as: 6928-85-4, 4-methylpiperazin-1-amine, 1-piperazinamine, 4-methyl-, 4-methyl-1-piperazinamine, 4-methyl-piperazin-1-ylamine, 1-methyl-4-aminopiperazine

Molecular Formula

C₅H₁₃N₃

Molecular Weight

115.18 g/mol

InChI Key

RJWLLQWLBMJCFD-UHFFFAOYSA-N

FDA UNII

J5GBT1LFT2

1 2D Structure

CAS 6928-85-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methylpiperazin-1-amine

2.1.2 InChI

InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3

2.1.3 InChI Key

RJWLLQWLBMJCFD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)N

2.2 Other Identifiers

2.2.1 UNII

J5GBT1LFT2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-amino 4-methylpiperazine

2.3.2 Depositor-Supplied Synonyms

1. 6928-85-4

2. 4-methylpiperazin-1-amine

3. 1-piperazinamine, 4-methyl-

4. 4-methyl-1-piperazinamine

5. 4-methyl-piperazin-1-ylamine

6. 1-methyl-4-aminopiperazine

7. 4-amino-1-methylpiperazine

8. J5gbt1lft2

9. 1-methyl-4-aminopierazine

10. 4-methyl-1-aminopiperazine

11. N-amino-n'-methylpiperazine

12. N1-methyl-n4-aminopiperazine

13. (4-methylpiperazin-1-yl)amine

14. Nsc-80649

15. Nsc80649

16. Einecs 230-053-7

17. Nsc 80649

18. Unii-j5gbt1lft2

19. N-amino-4-methylpiperazine

20. 1-amino 4-methylpiperazine

21. 4-methylpiperazin-1-ylamine

22. N-methyl-n'-aminopiperazine

23. Dsstox_cid_31597

24. Dsstox_rid_97481

25. 1-amino-4-methyl Piperazine

26. 4-methyl-1-amino Piperazine

27. Dsstox_gsid_57808

28. Schembl65054

29. 1-amino-4-methyl-piperazine

30. N-amino-n'-methyl Piperazine

31. 4-methyl-1-piperazinamine #

32. Chembl3560514

33. Dtxsid3057808

34. 1-amino-4-methylpiperazine, 97%

35. Bcp22015

36. Tox21_113841

37. Bbl027562

38. Mfcd00006154

39. Stl281176

40. Zinc19167247

41. Akos000118812

42. Am85350

43. Piperazine, 1-amino-4-methyl-

44. Ncgc00253722-01

45. As-58378

46. Cas-6928-85-4

47. Piperazine, 1-hydrazinyl-4-methyl-

48. A1192

49. Cs-0071327

50. Ft-0607330

51. A836419

52. Sr-01000944741

53. Sr-01000944741-1

54. W-104639

55. F2190-0525

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₃N₃
Molecular Weight	115.18 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	115.110947427 g/mol
Monoisotopic Mass	115.110947427 g/mol
Topological Polar Surface Area	32.5 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