Octanex Labs

CAS 5637-42-3

Chemistry, 1 End Use API, 5 Related Intermediates

Manufacturers/Suppliers

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Also known as: 5637-42-3, N-(4-cyanophenyl)guanidine, 2-(4-cyanophenyl)guanidine, 4-cyanophenyl guanidine, 4-cyanophenylguanidine, 4-guanidinobenzonitrile

Molecular Formula

C₈H₈N₄

Molecular Weight

160.18 g/mol

InChI Key

BTDGLZSKNFJBER-UHFFFAOYSA-N

1 2D Structure

CAS 5637-42-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-cyanophenyl)guanidine

2.1.2 InChI

InChI=1S/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12)

2.1.3 InChI Key

BTDGLZSKNFJBER-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C#N)N=C(N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5637-42-3

2. N-(4-cyanophenyl)guanidine

3. 2-(4-cyanophenyl)guanidine

4. 4-cyanophenyl Guanidine

5. 4-cyanophenylguanidine

6. 4-guanidinobenzonitrile

7. (4-cyanophenyl)guanidine

8. Schembl247051

9. N''-(4-cyanophenyl)guanidine

10. Amy4029

11. Dtxsid90589935

12. Mfcd16251323

13. Zinc44699409

14. Akos016003144

15. Cs-w010877

16. Ac-25858

17. As-19129

18. Da-17016

19. Ft-0665309

20. J-523052

2.3 Create Date

2007-11-14

3 Chemical and Physical Properties

Molecular Formula	C₈H₈N₄
Molecular Weight	160.18 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	88.2
Heavy Atom Count	12
Formal Charge	0
Complexity	213
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

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(E)-3-(4-Amino-3,5-dimethyl phenyl) acrylonitrile Hydro...

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CAS Number

CAS-661489-23-2

End Use API

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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