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N-(2-Carboxyphenyl)glycine - 97%, high purity , CAS No.612-42-0
Basic Description
Synonyms
612-42-0 | N-(2-Carboxyphenyl)glycine | 2-[(carboxymethyl)amino]benzoic acid | N-(Carboxymethyl)anthranilic acid | 2-((Carboxymethyl)amino)benzoic acid | 2-(carboxymethylamino)benzoic acid | Phenylglycine-o-carboxylic acid | Benzoic acid, 2-[(carboxymethyl)amino]- | 2-(C
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
Alpha amino acids Benzoic acids Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Dicarboxylic acids and derivatives Vinylogous amides Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Vinylogous amide - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504754344
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754344
IUPAC Name
2-(carboxymethylamino)benzoic acid
INCHI
InChI=1S/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)
InChIKey
PJUXPMVQAZLJEX-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=O)O)NCC(=O)O
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)O)NCC(=O)O
Molecular Weight
195.17
Reaxy-Rn
2109682
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2109682&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
218°C
Molecular Weight
195.170 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
195.053 Da
Monoisotopic Mass
195.053 Da
Topological Polar Surface Area
86.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
229.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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