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Technical details about CAS 58859-46-4, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 58859-46-4, Ethyl 4-aminopiperidine-1-carboxylate, 4-amino-1-carbethoxypiperidine, 1-piperidinecarboxylic acid, 4-amino-, ethyl ester, Mfcd00006484, 54815srp4z
Molecular Formula
C8H16N2O2
Molecular Weight
172.22  g/mol
InChI Key
GQQQULCEHJQUJT-UHFFFAOYSA-N
FDA UNII
54815SRP4Z

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-aminopiperidine-1-carboxylate
2.1.2 InChI
InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
2.1.3 InChI Key
GQQQULCEHJQUJT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)N1CCC(CC1)N
2.2 Other Identifiers
2.2.1 UNII
54815SRP4Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 58859-46-4

2. Ethyl 4-aminopiperidine-1-carboxylate

3. 4-amino-1-carbethoxypiperidine

4. 1-piperidinecarboxylic Acid, 4-amino-, Ethyl Ester

5. Mfcd00006484

6. 54815srp4z

7. Ethyl-4-amino-1-piperidine Carboxylate

8. 4-amino-1-piperidinecarboxylic Acid Ethyl Ester

9. Unii-54815srp4z

10. N-carbethoxy-4-amino-piperidone

11. Ethyl 4-aminopiperidinecarboxylate

12. Einecs 261-472-3

13. Schembl382565

14. Ethyl 4-aminopiperdinecarboxylate

15. Dtxsid80207570

16. Ethyl 4-amino-piperidinecarboxylate

17. Ethyl 4-anino-piperidinecarboxylate

18. Act02116

19. Albb-005996

20. Zinc3860144

21. Ethyl-4-amino-piperidine Carboxylate

22. Stk503658

23. 1-(ethoxycarbonyl)-4-aminopiperidine

24. 4-amino-1-(ethoxycarbonyl)piperidine

25. Ethyl-4-amino-1-piperidinecarboxylate

26. Ethyl4-amino-1-piperidine Carboxylate

27. Akos000121456

28. Ethyl 4-amino-1-piperidine Carboxylate

29. Ethyl 4-amino-piperidine-1-carboxylate

30. Ethyl-4-amino-1-piperidine-carboxylate

31. Sb41087

32. Wt82056

33. Ethyl-4-amino- 1-piperidine Carboxylate

34. Ac-23899

35. As-63097

36. Sy012564

37. Db-014800

38. Bb 0254613

39. Cs-0001968

40. Ethyl 4-amino-1-piperidinecarboxylate, 96%

41. Ft-0617585

42. 4-amino-1-piperidinecarboxylicacid Ethyl Ester

43. 4-aminopiperidine-1-carboxylic Acid Ethyl Ester

44. 4-amino-1-piperidine Carboxylic Acid Ethyl Ester

45. 4-amino-1-piperidinecarboxylic Acid, Ethyl Ester

46. 4-amino-piperidine-1-carboxylic Acid Ethyl Ester

47. A832042

48. Q27261186

49. F2190-0520

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 172.22 g/mol
Molecular Formula C8H16N2O2
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass172.121177757 g/mol
Monoisotopic Mass172.121177757 g/mol
Topological Polar Surface Area55.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1