4-(3-Carbamimidoylguanidino)benzoic acid | CAS No. 22817-15-8

4-(3-Carbamimidoylguanidino)benzoic acid

Basic Information

CAS Number

22817-15-8

Molecular Formula

C9H11N5O2

Molecular Weight

221.22 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C9H11N5O2/c10-8(11)14-9(12)13-6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)(H6,10,11,12,13,14)

InChIKey

SQVQYPFROZNYOG-UHFFFAOYSA-N

LogP

-0.39559999999999923

Topological Polar Surface Area

140.07999999999998 Ų

Hydrogen Bond Donor/Acceptor

7 / 7

Complexity

314

Synonyms & References

English

  • 4-(N'-Carbamimidoylcarbamimidamido)benzoic acid
  • NCI60_000590
  • NCGC00014274
  • CCG-37621
  • 4-((((amino(imino)methyl)amino)(imino)methyl)amino)benzoic acid
  • 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoic acid
  • DTXSID10945493
  • CHEMBL1742045
  • NCGC00097383-01
  • NSC-125205
  • NCGC00014274-02
  • 4-{[{[amino(imino)methyl]amino}(imino)methyl]amino}benzoic acid
  • NCIStruc1_000808
  • NCI125205
  • 22817-15-8
  • AKOS024412044
  • NCIStruc2_000735
  • 4-(3-Carbamimidoylguanidino)benzoic acid
  • NSC125205
  • Benzoic acid,4-[[[(aminoiminomethyl)amino]iminomethyl]amino]-
  • [N'-(4-carboxyphenyl)carbamimidoyl]-(diaminomethylidene)azanium
  • 4-{[{[AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]AMINO}BENZOIC ACID HYDROCHLORIDE
  • 4-(butylcarbamoylamino)-2-hydroxy-benzoic acid
  • 4-(N'-Butyl-ureido)-salicylsaeure
  • 4-(N'-Carbamimidoyl-guanidino)-benzoesaeure
  • 4-(N'-carbamimidoyl-guanidino)-benzoic acid
  • 4-< N'-Butyl-ureido> -salicylsaeure
  • AC1L5HKR
  • AG-J-28124
  • CTK3I7814
  • NSC69832

FAQ

What are the physical and chemical properties of 4-(3-Carbamimidoylguanidino)benzoic acid (CAS: 22817-15-8)?

4-(3-Carbamimidoylguanidino)benzoic acid is a crystalline solid at room temperature. Its molecular weight is approximately 251.28 g/mol. The compound is slightly soluble in water and organic solvents. It is reactive towards acids and bases, showing good reactivity in amidation reactions. The compound has a pKa of about 2.5, indicating acidic behavior.

How is 4-(3-Carbamimidoylguanidino)benzoic acid (CAS: 22817-15-8) typically synthesized?

4-(3-Carbamimidoylguanidino)benzoic acid is typically synthesized by the amidation of 4-benzoic acid with 3-carbamoylguanidine in the presence of a catalyst such as 4-(dimethylamino)pyridine or dicyclohexylcarbodiimide. The reaction is typically carried out in an inert solvent like dichloromethane under anhydrous conditions to achieve high yield and selectivity.

What industries use 4-(3-Carbamimidoylguanidino)benzoic acid (CAS: 22817-15-8)?

4-(3-Carbamimidoylguanidino)benzoic acid is used in the pharmaceutical industry for the development of certain drugs. It is also employed in the production of sensors and as a precursor in the synthesis of other compounds. Additionally, it has applications in the polymer industry for the modification of polymer properties.

What precautions should be taken when handling 4-(3-Carbamimidoylguanidino)benzoic acid (CAS: 22817-15-8)?

When handling 4-(3-Carbamimidoylguanidino)benzoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be stored in a fume hood or an enclosed container to minimize exposure. In the event of a spill, it is recommended to use appropriate spill cleanup materials and follow safety data sheet (SDS) guidelines for disposal. Always work with this compound under proper laboratory safety protocols.

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