Tetrabutylammonium iodide(TBAI) - for ion pair chromatography , CAS No.311-28-4

CAS: 311-28-4 Cat. No.: T103715 Molecular Weight: 369.37 Beilstein Registry Number: 3916152 EC Number: 206-220-5 PubChem CID: 67553

GRADE & PURITY for Ion pair chromatography

Synonyms

TBAI | FT-0649550 | STR02456 | tetrabutylamonium iodide | C16H36IN | tetra butyl ammonium iodide | Tetra-n-butylammoniumjodid [Czech] | EINECS 206-220-5 | T0057 | terabutylammonium iodide | tetra-n-butylamrnonium iodide | D70426 | J-018250 | tetrabutyl am

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

TBAI | FT-0649550 | STR02456 | tetrabutylamonium iodide | C16H36IN | tetra butyl ammonium iodide | Tetra-n-butylammoniumjodid [Czech] | EINECS 206-220-5 | T0057 | terabutylammonium iodide | tetra-n-butylamrnonium iodide | D70426 | J-018250 | tetrabutyl am

Specifications & Purity

for ion pair chromatography

Storage

Protected from light, Desiccated, Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Names and Identifiers

• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.[I-]
• IUPAC Name: tetrabutylazanium;iodide
• InChIKey: DPKBAXPHAYBPRL-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[I-]
• WGK Germany: 3
• RTECS: BS5450000
• PubChem CID: 67553
• Molecular Weight: 369.37
• Beilstein: 3916152
• Reaxy-Rn: 3916152

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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: Light sensitive.Hygroscopic
• Melt Point(°C): 145-148°C
• Molecular Weight: 369.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 369.189 Da
• Monoisotopic Mass: 369.189 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 116.000
• 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

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