N-(3-Carboxyphenyl)anthranilic acid , CAS No.27693-67-0

CAS: 27693-67-0 Cat. No.: N668003 Molecular Weight: 257.24 PubChem CID: 97298
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Synonyms
N-(3-Carboxyphenyl)anthranilic acid | 2-((3-Carboxyphenyl)amino)benzoic acid | 2-(3-carboxyanilino)benzoic acid | NSC113996 | NSC-113996 | H1C37ZB0P3 | 2-[(3-Carboxyphenyl)amino]benzoic acid | Benzoic acid, 2,3'-iminodi- | 2,3-imino-dibenzoic acid | NSC 1
Storage
Room temperature
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1mg
N668003-1mg
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5mg
N668003-5mg
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-(3-Carboxyphenyl)anthranilic acid | 2-((3-Carboxyphenyl)amino)benzoic acid | 2-(3-carboxyanilino)benzoic acid | NSC113996 | NSC-113996 | H1C37ZB0P3 | 2-[(3-Carboxyphenyl)amino]benzoic acid | Benzoic acid, 2, 3'-iminodi- | 2, 3-imino-dibenzoic acid | NSC 1
Storage
Room temperature
Product Properties
ALogP4.5
Names and Identifiers
Canonical SmilesC1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(=O)O
IUPAC Name2-(3-carboxyanilino)benzoic acid
InChIKeyXBGBRSWGOUAIBM-UHFFFAOYSA-N
INCHI1S/C14H11NO4/c16-13(17)9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
Isomeric SMILES C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(=O)O
PubChem CID 97298
Molecular Weight 257.24

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Aminobenzoic acids and derivatives
Direct ParentAminobenzoic acids
Alternative Parents Benzoic acids  Benzoyl derivatives  Aniline and substituted anilines  Dicarboxylic acids and derivatives  Vinylogous amides  Amino acids  Secondary amines  Carboxylic acids  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Dicarboxylic acid or derivatives - Vinylogous amide - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AKR1C3 Tchem Aldo-keto reductase family 1 member C3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AKR1C3 Tchem Aldo-keto-reductase family 1 member C3 (1414 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cdc25b Dual specificity phosphatase Cdc25B (32 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight257.240 g/mol
XLogP34.500
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass257.069 Da
Monoisotopic Mass257.069 Da
Topological Polar Surface Area86.600 Ų
Heavy Atom Count19
Formal Charge0
Complexity344.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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