Tetrabutylammonium phosphate monobasic - for ion pair chromatography, 0.5mol/L in water , CAS No.5574-97-0

CAS: 5574-97-0 Cat. No.: T106815 Molecular Weight: 339.45 Beilstein Registry Number: 5196532 EC Number: 226-947-1

GRADE & PURITY for Ion pair chromatography, 0.5mol/L in water

Synonyms

1-Butanaminium, N,N,N-tributyl-, phosphate (1:1) | H11293 | AS-15201 | DTXSID4063951 | FT-0635772 | tetra-n-butylammonium phosphate | Tetrabutylammonium dihydrogen phosphate | tetrabutyl-ammonium dihydrogen phosphate | CRD3CJW5P4 | tetrabutylammonium dihy

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Butanaminium, N, N, N-tributyl-, phosphate (1:1) | H11293 | AS-15201 | DTXSID4063951 | FT-0635772 | tetra-n-butylammonium phosphate | Tetrabutylammonium dihydrogen phosphate | tetrabutyl-ammonium dihydrogen phosphate | CRD3CJW5P4 | tetrabutylammonium dihy

Specifications & Purity

for ion pair chromatography, 0.5mol/L in water

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Names and Identifiers

• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
• IUPAC Name: dihydrogen phosphate;tetrabutylazanium
• InChIKey: ARRNBPCNZJXHRJ-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
• WGK Germany: 3
• Molecular Weight: 339.45
• Beilstein: 5196532

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphoric acids and derivatives
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic phosphoric acid derivative - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof.
• 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

Associated Targets(non-human)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic.light & air sensitive
• Melt Point(°C): 151-154 °C
• Molecular Weight: 339.450 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 339.254 Da
• Monoisotopic Mass: 339.254 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 166.000
• 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

XLogP3

References

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