CAS 26391-06-0

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2 End Use APIs
6 Related Intermediates

Chemistry

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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

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 Formula	C₇H₁₂N₂O
Molecular Weight	140.18 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	140.094963011 g/mol
Monoisotopic Mass	140.094963011 g/mol
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152
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