3,3'-Iminodipropionic Acid - ≥98% , CAS No.505-47-5

CAS: 505-47-5 Cat. No.: I157673 Summenformel: C₆H₁₁NO₄ Molekulargewicht: 161.16 EG-Nummer: 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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: C(CNCCC(=O)O)C(=O)O
• Molekulargewicht: 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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: heat sensitive;light sensitive
• Schmelzpunkt (°C): 156 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 505-47-5, the molecular formula is C6H11NO4, and the molecular weight is 161.16 g/mol. InChIKey TXPKUUXHNFRBPS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.