Dihexylamine acetate solution - 0.5088 mol/L , CAS No.366793-17-1

CAS: 366793-17-1 Cat. No.: D332030 Summenformel: C₁₄H₃₁NO₂ Molekulargewicht: 245.4 EG-Nummer: 662-915-7

GRADE & PURITY 0.5088 mol/L

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

Shipped In

Normal

Übersicht

Dihexylamine acetate solution contains an ion pair reagent for HPLC/MS.

Specifications

Synonyme

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

Spezifikationen & Reinheit

0.5088 mol/L

Storage

Room temperature

Verschickt in

Normal

Hinweis

1. Holcapek, M., et al., 2001. High performance liquid chromatography-mass spectrometric analysis of sulphonated dyes and intermediates. Journal of chromatography. A. 926(1): 175-86. PMID: 11554410

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: CCCCCCNCCCCCC.CC(=O)O
• Molekulargewicht: 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
    • Klasse Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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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