CAS 39263-34-8

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Also known as: 39263-34-8, Dtxsid70447701, Dtxcid70398522, 850-344-8, N'-(2-cyano-4-nitrophenyl)-n,n-dimethyliminoformamide, (e)-n'-(2-cyano-4-nitrophenyl)-n,n-dimethylformimidamide

Molecular Formula

C₁₀H₁₀N₄O₂

Molecular Weight

218.21 g/mol

InChI Key

RLSZPRPVHOOMBN-UHFFFAOYSA-N

FDA UNII

K2H9LRJ9T9

1 2D Structure

CAS 39263-34-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N'-(2-cyano-4-nitrophenyl)-N,N-dimethylmethanimidamide

2.1.2 InChI

InChI=1S/C10H10N4O2/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11/h3-5,7H,1-2H3

2.1.3 InChI Key

RLSZPRPVHOOMBN-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

K2H9LRJ9T9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 39263-34-8

2. Dtxsid70447701

3. Dtxcid70398522

4. 850-344-8

5. N'-(2-cyano-4-nitrophenyl)-n,n-dimethyliminoformamide

6. (e)-n'-(2-cyano-4-nitrophenyl)-n,n-dimethylformimidamide

7. 1203904-18-0

8. N'-(2-cyano-4-nitrophenyl)-n,n-dimethylformamidine

9. N'-(2-cyano-4-nitrophenyl)-n,n-dimethylformimidamide

10. Nchembio866-comp21

11. Starbld0008938

12. K2h9lrj9t9

13. Schembl1192132

14. Schembl1192134

15. Js-199c

16. Rlszprpvhoombn-kpkjpenvsa-n

17. Rlszprpvhoombn-uhfffaoysa-n

18. (e)-n'-(2-cyano-4-nitrophenyl)-n,n-dimethylmethanimidamide

19. Mfcd09027120

20. Akos005073204

21. Akos030240495

22. F97758

23. En300-11777032

24. N'-(2-cyano-4-nitro-phenyl)-n,n-dimethylformamidine

25. (e)-n'-(2-cyano-4-nitrophenyl)-n,n-dimethylformamidine

26. N'-(2-cyano-4-nitro-phenyl)-n,n-dimethyl-formamidine

27. 2-{[(dimethylamino)methylidene]amino}-5-nitrobenzonitrile

28. (1e)-n'-(2-cyano-4-nitrophenyl)-n,n-dimethylmethanimidamide

29. N'-(2-cyano-4-nitrophenyl)-n,n-dimethylformimidamide, (e)-

30. Methanimidamide, N'-(2-cyano-4-nitrophenyl)-n,n-dimethyl-, (1e)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀N₄O₂
Molecular Weight	218.21 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	85.2
Heavy Atom Count	16
Formal Charge	0
Complexity	325
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