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CAS 107-91-5

CAS 107-91-5

Chemistry

Chemistry

Also known as: 107-91-5, Cyanoacetamide, Acetamide, 2-cyano-, Cyanacetamide, Malonamide nitrile, Malonamonitrile

Molecular Formula

C₃H₄N₂O

Molecular Weight

84.08 g/mol

InChI Key

DGJMPUGMZIKDRO-UHFFFAOYSA-N

FDA UNII

YBK38G2YXH

Cyanoacetamide is a chemical compound of cyanide.

1 2D Structure

CAS 107-91-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-cyanoacetamide

2.1.2 InChI

InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)

2.1.3 InChI Key

DGJMPUGMZIKDRO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C#N)C(=O)N

2.2 Other Identifiers

2.2.1 UNII

YBK38G2YXH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cyanoacetamide

2.3.2 Depositor-Supplied Synonyms

1. 107-91-5

2. Cyanoacetamide

3. Acetamide, 2-cyano-

4. Cyanacetamide

5. Malonamide Nitrile

6. Malonamonitrile

7. Nitrilomalonamide

8. Cyanoiminoacetic Acid

9. 3-nitrilo-propionamide

10. Propionamide, 3-nitrilo-

11. Usaf Kf-14

12. Kyanacetamid

13. Cyano Acetamide

14. Nsc 6285

15. 2-cyano-acetamide

16. Alpha-cyanoacetamide

17. .alpha.-cyanoacetamide

18. Amid Kyseliny Kyanoctove

19. Mfcd00008024

20. Ybk38g2yxh

21. Chembl2333142

22. Nsc-6285

23. Wln: Zv1cn

24. Propionamide Nitrile

25. Kyanacetamid (czech)

26. Amid Kyseliny Kyanoctove (czech)

27. Hsdb 2817

28. Malonic Acid, Monoamide Mononitrile

29. Einecs 203-531-8

30. Unii-ybk38g2yxh

31. Brn 0878221

32. 2-cyanoacetamid

33. Ai3-20147

34. 2-cyanoethanamide

35. 2-cyano Acetamide

36. Alpha-cyano-acetamide

37. Cyanoacetamide, 99%

38. Cyanoacetamide [mi]

39. Ec 203-531-8

40. Cyanoacetamide [hsdb]

41. Dtxsid2051552

42. Nsc6285

43. Nsc8948

44. Nsc-8948

45. Bdbm50428735

46. Akos000118770

47. Bp-21030

48. Am20080019

49. Cs-0006665

50. Ft-0612105

51. Ns00006407

52. En300-17156

53. W18657

54. 2-cyanoacetamide (en)acetamide, 2-cyano- (en)

55. A801779

56. Q-102768

57. Q1146906

58. Z56896153

59. F0001-0146

60. Inchi=1/c3h4n2o/c4-2-1-3(5)6/h1h2,(h2,5,6

61. Propanedioic Acid,monoamide,mononitrile Malonic Acid,monoamide,mononitrile

62. Xhd

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₄N₂O
Molecular Weight	84.08 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.9
Heavy Atom Count	6
Formal Charge	0
Complexity	98.6
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

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

200 to 300 milligrams for an adult human (cyanide salts). (T86)

5 Pharmacology and Biochemistry

5.1 Metabolism/Metabolites

Organic nitriles are converted into cyanide ions through the action of cytochrome P450 enzymes in the liver. Cyanide is rapidly absorbed and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)