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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid - ≥95% , CAS No.641569-94-0
Synonyms
UNII-TQ9WCS4PF0 | 4-(5-amino-6-hydroxy-2-benzoxazolyl)-benzoicacid | 4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzoic acid;4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid | C17H14N4O2 | Cholesta-5,7-dien-3-beta-ol | LDLZPHLSVKGFSC-UH
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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 Sinónimos
UNII-TQ9WCS4PF0 | 4-(5-amino-6-hydroxy-2-benzoxazolyl)-benzoicacid | 4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzoic acid;4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid | C17H14N4O2 | Cholesta-5, 7-dien-3-beta-ol | LDLZPHLSVKGFSC-UH
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504765440 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765440 Sonrisas canónicas CC1=C(C=C(C=C1)C(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3 IUPAC Name 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid InChIKey LDLZPHLSVKGFSC-UHFFFAOYSA-N INCHI 1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21) Isómeros SMILES CC1=C(C=C(C=C1)C(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3 CAS alternativo 641569-94-0 Peso molecular 306.32 Reaxy-Rn 11419648 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11419648&ln=
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.
Look up COA → 📊 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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinylpyrimidines Alternative Parents Aminobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines Toluenes Aminopyrimidines and derivatives Pyridines and derivatives Heteroaromatic compounds Amino acids Secondary amines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridinylpyrimidine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 306.320 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 306.112 Da Monoisotopic Mass 306.112 Da Topological Polar Surface Area 88.000 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 406.000 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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