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Also known as: 26391-06-0, N,n-diethylcyanoacetamide, N,n-diethyl-2-cyanoacetamide, Acetamide, 2-cyano-n,n-diethyl-, N,n-diethylaminocyanoacetamide, 2-cyano-n,n-diethyl-acetamide
Molecular Formula
C7H12N2O
Molecular Weight
140.18  g/mol
InChI Key
RYSHIRFTLKZVIH-UHFFFAOYSA-N
FDA UNII
K7FKS72PYE

CAS 26391-06-0
1 2D Structure

CAS 26391-06-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-cyano-N,N-diethylacetamide
2.1.2 InChI
InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3
2.1.3 InChI Key
RYSHIRFTLKZVIH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)C(=O)CC#N
2.2 Other Identifiers
2.2.1 UNII
K7FKS72PYE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 26391-06-0

2. N,n-diethylcyanoacetamide

3. N,n-diethyl-2-cyanoacetamide

4. Acetamide, 2-cyano-n,n-diethyl-

5. N,n-diethylaminocyanoacetamide

6. 2-cyano-n,n-diethyl-acetamide

7. K7fks72pye

8. N,n-diethyl-cyanoacetamide

9. Mfcd01332383

10. Unii-k7fks72pye

11. N,n-diethyl Cyanoacetamide

12. Ec 607-929-6

13. N,n-diethyl Cyano Acetamide

14. 2-cyanoacetic Acid Diethylamide

15. N,n Diethyl-2-cyano Acetamide

16. Schembl1405183

17. 2-cyano-n,n-diethyl-ethanamide

18. Chebi:48386

19. N1,n1-diethyl-2-cyanoacetamide

20. Amy3916

21. Dtxsid70397378

22. Hms1747e15

23. Albb-004136

24. Bcp29944

25. Zinc3887263

26. Stk502146

27. Akos000270706

28. N,n-diethyl-2-cyanoacetoamide, 97%

29. Ac-1753

30. Ds-12505

31. Sy008120

32. Db-013095

33. Bb 0240856

34. Cs-0112885

35. Ft-0612166

36. Ft-0655253

37. En300-08341

38. F11682

39. A818419

40. J-509222

41. Q27121177

2.4 Create Date
2005-09-11
3 Chemical and Physical Properties
Molecular Weight 140.18 g/mol
Molecular Formula C7H12N2O
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass140.094963011 g/mol
Monoisotopic Mass140.094963011 g/mol
Topological Polar Surface Area44.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity152
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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