Trimethylolpropane Tris[3-(aziridin-1-yl)propionate] - ≥90%(N) , CAS No.52234-82-9

CAS: 52234-82-9 Cat. No.: T405648 Peso molecular: 425.53 Número EC: 257-765-0 PubChem CID: 93272

GRADE & PURITY ≥90%(N)

Synonyms

DS-2764 | 1-Aziridinepropanoic acid, 1,1'-(2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-ethyl-1,3-propanediyl) ester | D88556 | EINECS 257-765-0 | FT-0652104 | Trimethylolpropane tris(3-aziridinyl propanoate) | 2,2-bis({[3-(aziridin-1-yl)propanoyl]oxy}meth

Storage

Room temperature

Specifications

Sinónimos

DS-2764 | 1-Aziridinepropanoic acid, 1, 1'-(2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-ethyl-1, 3-propanediyl) ester | D88556 | EINECS 257-765-0 | FT-0652104 | Trimethylolpropane tris(3-aziridinyl propanoate) | 2, 2-bis({[3-(aziridin-1-yl)propanoyl]oxy}meth

Especificaciones y pureza

≥90%(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥90%(N)

Nombres e identificadores

• Sonrisas canónicas: CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3
• IUPAC Name: 2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate
• InChIKey: KDRBAEZRIDZKRP-UHFFFAOYSA-N
• INCHI: 1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3
• Isómeros SMILES: CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3
• PubChem CID: 93272
• Peso molecular: 425.53
• Reaxy-Rn: 11332281

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Trialkylamines Carboxylic acid esters Amino acids and derivatives Aziridines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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

• Punto de inflamación (°C): 264 °C
• Peso molecular: 425.500 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 19
• Exact Mass: 425.253 Da
• Monoisotopic Mass: 425.253 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 523.000
• 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. Guangling He, Shuqing Wei, Yuhao Yue, Lei Dong, Liangmin Yu.  (2025)  Enhanced marine antifouling hydrogel coatings achieved through simultaneous enhancement of contact-killing, low surface energy and fluorescence properties.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.165612]

2. Guangling He, Hao Xu, Xinhao Liu, Yujie Wang, Yuye Dou, Lei Dong, Liangmin Yu.  (2026)  An “active-passive” antifouling strategy: Designing hydrogel-zinc acrylate hybrid coatings with enhanced mechanical, antibacterial and antifouling performance.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173244]