2-[4-(Phenylamino)phenoxy]acetic acid , CAS No.643753-17-7

CAS: 643753-17-7 Cat. No.: P668698 Molecular Weight: 243.26 EC Number: 855-337-3 PubChem CID: 2396472
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Synonyms
2-[4-(phenylamino)phenoxy]acetic acid | (4-Phenylamino-phenoxy)-acetic acid | 2-(4-anilinophenoxy)acetic acid | MLS-0258798.0001 | Enamine_004503 | MLS000760748 | BDBM65969 | cid_2396472 | HMS1406M15 | HMS2653L22 | MFCD03950789 | 2-[4-(phenylamino)phenoxy
Storage
Room temperature
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1mg
P668698-1mg
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$571.90

$999.90
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5mg
P668698-5mg
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$1,999.90

$2,999.90
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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
2-[4-(phenylamino)phenoxy]acetic acid | (4-Phenylamino-phenoxy)-acetic acid | 2-(4-anilinophenoxy)acetic acid | MLS-0258798.0001 | Enamine_004503 | MLS000760748 | BDBM65969 | cid_2396472 | HMS1406M15 | HMS2653L22 | MFCD03950789 | 2-[4-(phenylamino)phenoxy
Storage
Room temperature
Product Properties
ALogP2.9
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)O
IUPAC Name2-(4-anilinophenoxy)acetic acid
InChIKeyVBJDXERSMNNCTA-UHFFFAOYSA-N
INCHI1S/C14H13NO3/c16-14(17)10-18-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
Isomeric SMILES C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)O
PubChem CID 2396472
Molecular Weight 243.26

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenoxyacetic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenoxyacetic acid derivatives
Alternative Parents Aminophenyl ethers  Phenoxy compounds  Aniline and substituted anilines  Alkyl aryl ethers  Amino acids  Secondary amines  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxyacetate - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PTPN7 Tchem Tyrosine-protein phosphatase non-receptor type 7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTPN12 Tchem Protein-tyrosine phosphatase G1 (132 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN22 Tchem Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (1215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 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 Weight243.260 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass243.09 Da
Monoisotopic Mass243.09 Da
Topological Polar Surface Area58.600 Ų
Heavy Atom Count18
Formal Charge0
Complexity256.000
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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