Tetrabutylammonium fluoride solution - 75% in water , CAS No.429-41-4

CAS: 429-41-4 Cat. No.: T106822 Formula: [CH₃(CH₂)₃]₄NF Molecular Weight: 261.46 Beilstein Registry Number: 3762762 EC Number: 207-057-2

GRADE & PURITY 75% in water

Synonyms

tetrabutylammonium fluride | 1-Butanaminium, N,N,N-tributyl-, fluoride | 1-Butanaminium, N,N,N-tributyl-, fluoride (1:1) | T1125 | Tetrabutyammonium fluoride | tetra butyl ammonium fluoride | tetrabuthylammonium fluoride | tetrabuthyl-ammonium fluoride |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

tetrabutylammonium fluride | 1-Butanaminium, N,N,N-tributyl-, fluoride | 1-Butanaminium, N,N,N-tributyl-, fluoride (1:1) | T1125 | Tetrabutyammonium fluoride | tetra butyl ammonium fluoride | tetrabuthylammonium fluoride | tetrabuthyl-ammonium fluoride |

Specifications & Purity

75% in water

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

528771014

Canonical Smiles

[F-].CCCC[N+](CCCC)(CCCC)CCCC

InChIKey

FPGGTKZVZWFYPV-UHFFFAOYSA-M

INCHI

1S/C16H36N.FH/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.[F-]

WGK Germany

3

UN Number

1993

Packing Group

II

Molecular Weight

261.46

Beilstein

3762762

Reaxy-Rn

3570522

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 salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - 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: fluoride salt - tetrabutylammonium salt

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

• x_flash_point_drop_fahrenheit: 1.4 °F
• x_flash_point_drop_centigrade: -17℃
• x_melt_point_char: 62-63°C
• Molecular Weight: 261.459 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 261.283 Da
• Monoisotopic Mass: 261.283 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