CAS 84689-20-3

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8 End Use APIs
13 Related Intermediates

Chemistry

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Also known as: 84689-20-3, 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile, 94213-24-8, Wz570674rf, (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl cyanide, (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-

Molecular Formula

C₉H₇Cl₂N₅

Molecular Weight

256.09 g/mol

InChI Key

BXDSJOGMJUKSAE-CHHVJCJISA-N

FDA UNII

WZ570674RF

1 2D Structure

CAS 84689-20-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1E)-2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide

2.1.2 InChI

InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7-

2.1.3 InChI Key

BXDSJOGMJUKSAE-CHHVJCJISA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)Cl)Cl)C(=NN=C(N)N)C#N

2.1.5 Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)/C(=N\N=C(N)N)/C#N

2.2 Other Identifiers

2.2.1 UNII

WZ570674RF

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

2. 13w80

2.3.2 Depositor-Supplied Synonyms

1. 84689-20-3

2. 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

3. 94213-24-8

4. Wz570674rf

5. (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl Cyanide

6. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-

7. 2-[cyano(2,3-dichlorophenyl)methylene]-hydrazine Carboximidamide

8. 13w80

9. (e)-3-(cyano(2,3-dichlorophenyl)methylene)carbazamidine

10. N'-carbamimidoyl-2,3-dichlorobenzohydrazonoyl Cyanide

11. Einecs 303-726-9

12. Unii-501dur70u5

13. Unii-wz570674rf

14. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile

15. 2-[cyano(2,3-dichlorophenyl)methylene]hydrazine Carboximidamide

16. 501dur70u5

17. Dtxsid301162145

18. 94213-23-7

19. Amy40804

20. Zinc21986332

21. Lamotrigine Impurity B [ep Impurity]

22. 689d203

23. (z)-(2,3-dichlorophenyl)(guanidinylimino)acetonitrile

24. 1-(alpha-cyano-2,3-dichlorobenzylideneamino)guanidine

25. Q27231289

26. 2-(2,3-dichlorphenyl)-2-(guanidinylimino)acetonitrile

27. (z)-2-(2,3-dichlorophenyl)-2-(guanidinoimino)acetonitrile

28. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

29. (2e)-2-[cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide

30. 2-[(e)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

31. 2-[(z)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

32. (2e)-(2-(diaminomethylidene)diazanylidene)(2,3-dichlorophenyl)acetonitrile

33. Hydrazinecarboximidamide, 2-(cyano(2,3-dichlorophenyl)methylene)-, (2e)-

2.4 Create Date

2006-05-02

3 Chemical and Physical Properties

Molecular Formula	C₉H₇Cl₂N₅
Molecular Weight	256.09 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	255.0078506 g/mol
Monoisotopic Mass	255.0078506 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1