CAS 42288-26-6

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

24 Suppliers, 24 End Use APIs, 101 Related Intermediates

24 Suppliers
24 End Use APIs
101 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 42288-26-6, 2-(4-cyanophenylamino)acetic acid, 2-((4-cyanophenyl)amino)acetic acid, N-(4-cyano-phenyl)-glycine, N-(4-cyanophenyl)-glycine, 2-(4-cyanoanilino)acetic acid

Molecular Formula

C₉H₈N₂O₂

Molecular Weight

176.17 g/mol

InChI Key

KJRQMXRCZULRHF-UHFFFAOYSA-N

1 2D Structure

CAS 42288-26-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-cyanoanilino)acetic acid

2.1.2 InChI

InChI=1S/C9H8N2O2/c10-5-7-1-3-8(4-2-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)

2.1.3 InChI Key

KJRQMXRCZULRHF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C#N)NCC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42288-26-6

2. 2-(4-cyanophenylamino)acetic Acid

3. 2-((4-cyanophenyl)amino)acetic Acid

4. N-(4-cyano-phenyl)-glycine

5. N-(4-cyanophenyl)-glycine

6. 2-(4-cyanoanilino)acetic Acid

7. 2-[(4-cyanophenyl)amino]acetic Acid

8. Glycine, N-(4-cyanophenyl)-

9. Mfcd01464022

10. [(4-cyanophenyl)amino]acetic Acid

11. N-(p-cyanophenyl)-glycine

12. Oprea1_114543

13. Schembl361315

14. (4-cyano-phenylamino)acetic Acid

15. Dtxsid80355883

16. Zinc332337

17. (4-cyano-phenylamino)-acetic Acid

18. Bcp04527

19. Cs-d0913

20. 2-(4-cyanophenylamino) Acetic Acid

21. Sc3501

22. Akos000218605

23. Ac-7903

24. Fs-3199

25. Hy-77519

26. Sy021403

27. Db-003865

28. Am20090750

29. Bb 0253985

30. Ft-0647115

31. En300-52080

32. 288c266

33. Q-102527

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₈N₂O₂
Molecular Weight	176.17 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	176.058577502 g/mol
Monoisotopic Mass	176.058577502 g/mol
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	223
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