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2D Structure
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

2D Structure

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 Weight 115.18 g/mol
Molecular Formula C5H13N3
XLogP3-1.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass115.110947427 g/mol
Monoisotopic Mass115.110947427 g/mol
Topological Polar Surface Area32.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1