6-(6-Aminohexanamido)hexanoic acid - ≥97% , CAS No.2014-58-6

CAS: 2014-58-6 Cat. No.: A587988 Formule: C₁₂H₂₄N₂O₃ Poids moléculaire: 244.33 Numéro CE: 998-509-4

GRADE & PURITY ≥97%

Synonyms

A909235 | N-(6-aminohexanoyl)-6-aminohexanoic acid | Hexanoic acid, 6-[(6-amino-1-oxohexyl)amino]- | 6-Aminocaproic Acid Dimer | 6-(6-aminohexanamido)hexanoicacid | N-(6-Aminohexanoyl)-6-aminohexanoate | Q27121569 | AKOS010404253 | Aminocaproic dimer | C2

Storage

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

Shipped In

Wet ice

Specifications

Synonymes

A909235 | N-(6-aminohexanoyl)-6-aminohexanoic acid | Hexanoic acid, 6-[(6-amino-1-oxohexyl)amino]- | 6-Aminocaproic Acid Dimer | 6-(6-aminohexanamido)hexanoicacid | N-(6-Aminohexanoyl)-6-aminohexanoate | Q27121569 | AKOS010404253 | Aminocaproic dimer | C2

Spécifications et pureté

≥97%

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

≥97%

Noms et identifiants

Pubchem Sid

508810079

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810079

Sourires canoniques

C(CCC(=O)NCCCCCC(=O)O)CCN

IUPAC Name

6-(6-aminohexanoylamino)hexanoic acid

InChIKey

IWENLYKHSZCPRD-UHFFFAOYSA-N

INCHI

1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

Isomères SMILES

C(CCC(=O)NCCCCCC(=O)O)CCN

Poids moléculaire

244.33

Reaxy-Rn

1789861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1789861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Amino fatty acids Straight chain fatty acids Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Amino fatty acid - Straight chain fatty acid - Amino acid or derivatives - Amino acid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Other Fatty Acyls

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

• Poids moléculaire: 244.330 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 244.179 Da
• Monoisotopic Mass: 244.179 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 220.000
• 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