Ethylenediamine-N,N`-Dipropionic Acid Dihydrochloride - ≥98% , CAS No.32705-91-2

CAS: 32705-91-2 Cat. No.: E330581 Peso molecular: 277.15 Número EC: 679-922-6 PubChem CID: 11437359

GRADE & PURITY ≥98%

Synonyms

D90468 | E0238 | 3-({2-[(2-CARBOXYETHYL)AMINO]ETHYL}AMINO)PROPANOIC ACID DIHYDROCHLORIDE | ETHYLENEDIAMINE-N,N'-DIPROPIONIC ACID DIHYDROCHLORIDE | MFCD00060168 | SCHEMBL496928 | AKOS027321009 | 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydroch

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

D90468 | E0238 | 3-({2-[(2-CARBOXYETHYL)AMINO]ETHYL}AMINO)PROPANOIC ACID DIHYDROCHLORIDE | ETHYLENEDIAMINE-N, N'-DIPROPIONIC ACID DIHYDROCHLORIDE | MFCD00060168 | SCHEMBL496928 | AKOS027321009 | 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydroch

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766426
• Sonrisas canónicas: C(CNCCNCCC(=O)O)C(=O)O.Cl.Cl
• IUPAC Name: 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride
• InChIKey: GSRDLTQJRCGIQI-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O4.2ClH/c11-7(12)1-3-9-5-6-10-4-2-8(13)14;;/h9-10H,1-6H2,(H,11,12)(H,13,14);2*1H
• Isómeros SMILES: C(CNCCNCCC(=O)O)C(=O)O.Cl.Cl
• PubChem CID: 11437359
• Peso molecular: 277.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Amino acids Dialkylamines Carboxylic acids Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Dicarboxylic acid or derivatives - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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: souble in water
• Punto de fusión (°C): 225 °C(dec.)
• Peso molecular: 277.140 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 276.064 Da
• Monoisotopic Mass: 276.064 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 164.000
• 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: 3

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