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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 4-[(carboxymethyl)amino]-

OC(=O)CNc1ccc(cc1)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-[(carboxymethyl)amino]-
CAS Number: 5698-54-4
Product Number: AG019VKD(AGN-PC-0JO5IU)
Synonyms:
MDL No:
Molecular Formula: C9H9NO4
Molecular Weight: 195.1721

Identification/Properties

Computed Properties
Molecular Weight:
195.174g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
195.053g/mol
Monoisotopic Mass:
195.053g/mol
Topological Polar Surface Area:
86.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
221
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
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-[(Carboxymethyl)amino]benzoic acid, also known as CABA, is a versatile compound widely used in chemical synthesis. This unique acid derivative plays a key role as a building block in the creation of various pharmaceuticals, dyes, and fine chemicals. The carboxymethyl and amino functional groups present in CABA enable it to participate in important chemical reactions, making it a valuable intermediate in organic synthesis. Its application in peptide synthesis, specifically as a coupling agent, highlights its significance in the creation of complex bioactive molecules. Additionally, 4-[(Carboxymethyl)amino]benzoic acid serves as a precursor for the synthesis of chelating agents that are vital in metal complexation reactions. Its ability to facilitate multiple functional group transformations makes it a crucial component in the development of innovative chemical compounds with diverse applications in industry and research.