2,4,6-Tris[(p-carboxyphenyl)amino]-1,3,5-triazine - ≥98% , CAS No.63557-10-8

CAS: 63557-10-8 Cat. No.: B300432 Peso molecular: 486.44

GRADE & PURITY ≥98%

Synonyms

4,4',4''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triben

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4, 4', 4''-((1, 3, 5-Triazine-2, 4, 6-triyl)tris(azanediyl))triben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767084
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767084
• Sonrisas canónicas: C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O
• IUPAC Name: 4-[[4,6-bis(4-carboxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
• InChIKey: NGJJZCPADSICRI-UHFFFAOYSA-N
• INCHI: 1S/C24H18N6O6/c31-19(32)13-1-7-16(8-2-13)25-22-28-23(26-17-9-3-14(4-10-17)20(33)34)30-24(29-22)27-18-11-5-15(6-12-18)21(35)36/h1-12H,(H,31,32)(H,33,34)(H,35,36)(H3,25,26,27,28,29,30)
• Isómeros SMILES: C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O
• Peso molecular: 486.44
• Reaxy-Rn: 15806806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15806806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Aniline and substituted anilines Aminotriazines 1,3,5-triazines Heteroaromatic compounds Amino acids Secondary amines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 486.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 486.129 Da
• Monoisotopic Mass: 486.129 Da
• Topological Polar Surface Area: 187.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 650.000
• 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

Referencias

1. Yuqing Deng, Shan Jiang, Zifei Yan, Youlu Chu, Weibing Wu, Huining Xiao.  (2024)  Fluorescent Eu-MOF@nanocellulose-based nanopaper for rapid and sensitive detection of uranium (Ⅵ).  ANALYTICA CHIMICA ACTA,      [PMID:38309843] [10.1016/j.aca.2024.342211]