Dihexylammonium acetate solution - 0.5M in H₂O, suitable for ion pair chromatography, ChromaClear™ , CAS No.366793-17-1

CAS: 366793-17-1 Cat. No.: D465871 Formule: C₁₄H₃₁NO₂ Poids moléculaire: 245.4 Numéro CE: 662-915-7

GRADE & PURITY 0.5M in H₂O, suitable for ion pair chromatography, ChromaClear™

Synonyms

Dihexylammonium Acetate (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] | SY067794 | di-n-hexylammonium acetate | MFCD03093619 | Dihexylamine Acetate, 0.5 M solution in H2O | IPC-DHAA | Dihexylamine acetate | Dihexylammonium Acetate | acetic acid;N-h

Storage

Room temperature

Vue d’ensemble

Description

Dihexylammonium acetate can be used as an ion-pairing agent for the analysis of nucleosides and nucleotides in foodstuffs and beverages, inositol phosphates in nutrition products, and acid orange dyes in meat products by ion-pair chromatography based techniques.

Specifications

Synonymes

Dihexylammonium Acetate (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] | SY067794 | di-n-hexylammonium acetate | MFCD03093619 | Dihexylamine Acetate, 0.5 M solution in H2O | IPC-DHAA | Dihexylamine acetate | Dihexylammonium Acetate | acetic acid;N-h

Spécifications et pureté

0.5M in H₂O, suitable for ion pair chromatography, ChromaClear™

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Pubchem Sid: 528775989
• Sourires canoniques: CCCCCCNCCCCCC.CC(=O)O
• IUPAC Name: acetic acid;N-hexylhexan-1-amine
• InChIKey: VAMSKEFYAOCCKM-UHFFFAOYSA-N
• INCHI: 1S/C12H27N.C2H4O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2(3)4/h13H,3-12H2,1-2H3;1H3,(H,3,4)
• Isomères SMILES: CCCCCCNCCCCCC.CC(=O)O
• Poids moléculaire: 245.4
• Reaxy-Rn: 30706071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30706071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Quaternary ammonium salt - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 245.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 245.235 Da
• Monoisotopic Mass: 245.235 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 102.000
• 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: 2

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