2-(4-Methoxy-phenylamino)-nicotinic acid - ≥97% , CAS No.4394-09-6

CAS: 4394-09-6 Cat. No.: N691698 Peso molecular: 244.25 PubChem CID: 748369
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Room temperature
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Size
Estado
Price
Qty
1g
N691698-1g
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891,90US$

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Why this grade

≥97% 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

Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥97%
Propiedades del producto
ALogP2.8
Nombres e identificadores
Sonrisas canónicasCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O
IUPAC Name2-(4-methoxyanilino)pyridine-3-carboxylic acid
InChIKeyXGRXAHKHESPCMV-UHFFFAOYSA-N
INCHI1S/C13H12N2O3/c1-18-10-6-4-9(5-7-10)15-12-11(13(16)17)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)
Isómeros SMILES COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O
PubChem CID 748369
Peso molecular 244.25

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids
Alternative Parents Methoxyanilines  Phenoxy compounds  Anisoles  Methoxybenzenes  Alkyl aryl ethers  Aminopyridines and derivatives  Imidolactams  Vinylogous amides  Heteroaromatic compounds  Amino acids  Secondary amines  Monocarboxylic acids and derivatives  Azacyclic compounds  Carboxylic acids  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Methoxyaniline - Pyridine carboxylic acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular244.250 g/mol
XLogP32.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass244.085 Da
Monoisotopic Mass244.085 Da
Topological Polar Surface Area71.500 Ų
Heavy Atom Count18
Formal Charge0
Complexity277.000
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
Calculadoras de soluciones
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