Diethylenetriaminepentaacetic acid dianhydride - ≥98% , CAS No.23911-26-4

CAS: 23911-26-4 Cat. No.: D106364 Peso molecular: 357.32 Beilstein Registry Number: 1230954 Número EC: 607-286-1

GRADE & PURITY ≥98%

Synonyms

NSC-125674 | NSC379317 | NSC-379317 | Uric acid, >=99%, crystalline | Glycine, N,N-bis(2-(2,6-dioxo-4-morpholinyl)ethyl)- | DTPA-Anhydride | Diethylenetriaminepentaacetic dianhydride | N,N-Bis[2-(2,6-dioxomorpholino)ethyl]glycine | Glycine, N,N-bis[2-(2,6

Storage

Room temperature

Shipped In

Normal

Descripción general

Employed in the synthesis of macrocyclic ligands and lanthanide complexes that are useful as MRI enhancers

Specifications

Sinónimos

NSC-125674 | NSC379317 | NSC-379317 | Uric acid, >=99%, crystalline | Glycine, N, N-bis(2-(2, 6-dioxo-4-morpholinyl)ethyl)- | DTPA-Anhydride | Diethylenetriaminepentaacetic dianhydride | N, N-Bis[2-(2, 6-dioxomorpholino)ethyl]glycine | Glycine, N, N-bis[2-(2, 6

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756467
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756467
• Sonrisas canónicas: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
• IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
• InChIKey: RAZLJUXJEOEYAM-UHFFFAOYSA-N
• INCHI: 1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)
• Isómeros SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 357.32
• Beilstein: 1230954
• Reaxy-Rn: 1230954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1230954&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Morpholines Carboxylic acid anhydrides Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Morpholine - Oxazinane - Carboxylic acid anhydride - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 182-184°C
• Peso molecular: 357.320 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 357.117 Da
• Monoisotopic Mass: 357.117 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 504.000
• 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

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