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Also known as: N-cyanoacetylurethane, 6629-04-5, Ethyl n-(2-cyanoacetyl)carbamate, Ethyl cyanoacetylcarbamate, Cyanoacetylurethan, Ethyl cyanacetylcarbamate
Molecular Formula
C6H8N2O3
Molecular Weight
156.14  g/mol
InChI Key
HSOGVWWWGVFXGF-UHFFFAOYSA-N
FDA UNII
7L18CT33BN

6629-04-5
1 2D Structure

6629-04-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl N-(2-cyanoacetyl)carbamate
2.1.2 InChI
InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)
2.1.3 InChI Key
HSOGVWWWGVFXGF-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
7L18CT33BN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. N-cyanoacetylurethane

2. 6629-04-5

3. Ethyl N-(2-cyanoacetyl)carbamate

4. Ethyl Cyanoacetylcarbamate

5. Cyanoacetylurethan

6. Ethyl Cyanacetylcarbamate

7. Carbamic Acid, (cyanoacetyl)-, Ethyl Ester

8. N-cyanoacetyl Ethyl Carbamate

9. 7l18ct33bn

10. Einecs 229-615-4

11. Nsc 59709

12. Nsc-59709

13. Brn 1210605

14. 4-03-00-00049 (beilstein Handbook Reference)

15. Refchem:829509

16. 229-615-4

17. Inchi=1/c6h8n2o3/c1-2-11-6(10)8-5(9)3-4-7/h2-3h2,1h3,(h,8,9,10

18. Ethyl (2-cyanoacetyl)carbamate

19. Mfcd00001937

20. N-cyano Acetyl Urethane

21. Carbamic Acid, Cyanoacetyl-, Ethyl Ester

22. Cyanacetylurethan

23. Cyanoacetylurethane

24. 2-cyanoacetylurethane

25. Resmetirom Impurity 3

26. Wln: Nc1vmvo2

27. Unii-7l18ct33bn

28. N-cyanoacetylurethane, 98%

29. N-ethoxycarbonylcyanoacetamide

30. Ethyl(2-cyanoacetyl)carbamate

31. Schembl700167

32. Ethyl (2-cyanoacetamido)formate

33. Dtxsid50216497

34. Wlz3377

35. N-(2-cyanoacetyl)ethoxycarboxamide

36. Nsc59709

37. Ccg-51498

38. Geo-00827

39. Sbb087127

40. Akos005069392

41. Cs-w001933

42. Fc12513

43. Sb76459

44. 2-cyanoacetylcarbamic Acid, Ethyl Ester

45. Sy011007

46. Db-073729

47. Ns00036008

48. En300-95848

49. Carbamic Acid, N-(2-cyanoacetyl)-, Ethyl Ester

50. 11e-923

51. F024254

52. Sr-01000640793-1

53. Q27268488

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 156.14 g/mol
Molecular Formula C6H8N2O3
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area79.2
Heavy Atom Count11
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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