Trimethylolpropane tris(2-methyl-1-aziridinepropionate) - ≥90% , CAS No.64265-57-2

CAS: 64265-57-2 Cat. No.: T139132 Peso molecular: 467.6 Número EC: 264-763-3 PubChem CID: 58210222

GRADE & PURITY ≥90%

Synonyms

AKOS016008539 | AS-70026 | SCHEMBL12754602 | Trimethylolpropane tris(2-methyl-1-aziridinepropionate) | 1544631-62-0 | 2-(((3-(2-Methylaziridin-1-yl)propanoyl)oxy)methyl)butane-1,2-diylbis(3-(2-methylaziridin-1-yl)propanoate) | 1-{[3-(2-METHYLAZIRIDIN-1-YL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS016008539 | AS-70026 | SCHEMBL12754602 | Trimethylolpropane tris(2-methyl-1-aziridinepropionate) | 1544631-62-0 | 2-(((3-(2-Methylaziridin-1-yl)propanoyl)oxy)methyl)butane-1, 2-diylbis(3-(2-methylaziridin-1-yl)propanoate) | 1-{[3-(2-METHYLAZIRIDIN-1-YL

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488201911
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201911
• Sonrisas canónicas: CCC(COC(=O)CCN1CC1C)(COC(=O)CCN2CC2C)OC(=O)CCN3CC3C
• IUPAC Name: [2-[3-(2-methylaziridin-1-yl)propanoyloxy]-2-[3-(2-methylaziridin-1-yl)propanoyloxymethyl]butyl] 3-(2-methylaziridin-1-yl)propanoate
• InChIKey: OEOQTSUNXODXQL-UHFFFAOYSA-N
• INCHI: 1S/C23H39N3O6/c1-5-23(32-22(29)8-11-26-14-19(26)4,15-30-20(27)6-9-24-12-17(24)2)16-31-21(28)7-10-25-13-18(25)3/h17-19H,5-16H2,1-4H3
• Isómeros SMILES: CCC(COC(=O)CCN1CC1C)(COC(=O)CCN2CC2C)OC(=O)CCN3CC3C
• WGK Alemania: 3
• RTECS: CM8544125
• PubChem CID: 58210222
• Peso molecular: 467.6

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: Glycerolipids Trialkylamines Carboxylic acid esters Amino acids and derivatives Aziridines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Glycerolipid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Aziridine - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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 fusión (°C): -30℃
• Peso molecular: 453.600 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 18
• Exact Mass: 453.284 Da
• Monoisotopic Mass: 453.284 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 651.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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