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anilino(oxo)acetic acid - 98%, high purity , CAS No.500-72-1
Basic Description
Synonyms
Acetic acid, oxo(phenylamino)- | AKOS003631999 | DTXSID4060105 | AI3-19496 | oxanilicacid | 136B46378D | oxo(phenylamino)acetic acid | BBL005466 | EINECS 207-910-9 | FT-0679577 | J-510210 | N-Phenyloxamic acid | 2-anilino-2-oxoacetic acid | 2-ANILINO-2-OX
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Anilides N-arylamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Anilide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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
488181125
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181125
IUPAC Name
2-anilino-2-oxoacetic acid
INCHI
InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKey
PQJZHMCWDKOPQG-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)NC(=O)C(=O)O
Isomeric SMILES
C1=CC=C(C=C1)NC(=O)C(=O)O
Molecular Weight
165.15
Reaxy-Rn
2803196
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803196&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.150 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
165.043 Da
Monoisotopic Mass
165.043 Da
Topological Polar Surface Area
66.400 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
185.000
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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