ácido 3,3'-Iminodipropiónico - ≥98% , CAS No.505-47-5

CAS: 505-47-5 Cat. No.: I157673 Peso molecular: 161.16 Número EC: 208-009-3

GRADE & PURITY ≥98%

Synonyms

NSC 41820 | 3-(2-carboxyethylamino)propanoic acid | IMINODIPROPIONIC ACID | 3-[(2-CARBOXYETHYL)AMINO]PROPANOIC ACID | 3-(2-Carboxy-ethylamino)-propionic acid | I0823 | AKOS006345949 | DTXSID60198518 | SCHEMBL109879 | AS-60223 | 3,3'-Azanediyldipropionic a

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

NSC 41820 | 3-(2-carboxyethylamino)propanoic acid | IMINODIPROPIONIC ACID | 3-[(2-CARBOXYETHYL)AMINO]PROPANOIC ACID | 3-(2-Carboxy-ethylamino)-propionic acid | I0823 | AKOS006345949 | DTXSID60198518 | SCHEMBL109879 | AS-60223 | 3, 3'-Azanediyldipropionic a

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CNCCC(=O)O)C(=O)O
• IUPAC Name: 3-(2-carboxyethylamino)propanoic acid
• InChIKey: TXPKUUXHNFRBPS-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)
• Isómeros SMILES: C(CNCCC(=O)O)C(=O)O
• Peso molecular: 161.16
• Reaxy-Rn: 1771945
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1771945&ln=

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 Organopnictogen compounds Organic oxides 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 - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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: Soluble in water
• Sensibilidad: heat sensitive;light sensitive
• Punto de fusión (°C): 156 °C
• Peso molecular: 161.160 g/mol
• XLogP3: -3.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 161.069 Da
• Monoisotopic Mass: 161.069 Da
• Topological Polar Surface Area: 86.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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