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

CAS: 5427-96-3 Cat. No.: A193847 Formule: C₆H₁₁NO₄ Poids moléculaire: 161.16

GRADE & PURITY ≥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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528758634

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
    • Classe 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
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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