3-Aminohexanedioic acid - ≥98% , CAS No.5427-96-3

CAS: 5427-96-3 Cat. No.: A193847 Summenformel: C₆H₁₁NO₄ Molekulargewicht: 161.16

QUALITÄT & REINHEIT ≥98%

Synonyms

beta-aminoadipic acid | beta-homoglutamic acid | D-beta-homoglutamic acid | FT-0630158 | 3-Aminohexanedioic acid | 3-amino-hexanedioic acid | A7893 | BCP27860 | Q27133206 | Hexanedioic acid, 3-amino-, (3S)- | Hexanedioic acid, 3-amino- | XABCFXXGZPWJQP-UH

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

beta-aminoadipic acid | beta-homoglutamic acid | D-beta-homoglutamic acid | FT-0630158 | 3-Aminohexanedioic acid | 3-amino-hexanedioic acid | A7893 | BCP27860 | Q27133206 | Hexanedioic acid, 3-amino-, (3S)- | Hexanedioic acid, 3-amino- | XABCFXXGZPWJQP-UH

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528758634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758634

Kanonisches Lächeln

C(CC(=O)O)C(CC(=O)O)N

IUPAC Name

3-aminohexanedioic acid

InChIKey

XABCFXXGZPWJQP-UHFFFAOYSA-N

INCHI

1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)

Isomere SMILES

C(CC(=O)O)C(CC(=O)O)N

Molekulargewicht

161.16

Reaxy-Rn

1773194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773194&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: Medium-chain fatty acids Amino fatty acids Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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: amino dicarboxylic acid - beta-amino acid - gamma-amino acid

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

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 161.160 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 161.069 Da
• Monoisotopic Mass: 161.069 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1