Tetrabutylammonium cyanide - ≥95% , CAS No.10442-39-4

CAS: 10442-39-4 Cat. No.: T121589 Molecular Weight: 268.48 Beilstein Registry Number: 3598808 EC Number: 233-926-0 PubChem CID: 165872

GRADE & PURITY ≥95%

Synonyms

tetra-n-butylammonium cyanide | Tetrabutylammonium cyanide,95% | tetrabutlyammonium cyanide | AB11972 | tetrabutylammoniumcyanide | AS-44539 | tetrabutyl ammonium cyanide | MFCD00043221 | SCHEMBL140587 | 1-Butanaminium, N,N,N-tributyl-, cyanide (1:1) | Te

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

tetra-n-butylammonium cyanide | Tetrabutylammonium cyanide, 95% | tetrabutlyammonium cyanide | AB11972 | tetrabutylammoniumcyanide | AS-44539 | tetrabutyl ammonium cyanide | MFCD00043221 | SCHEMBL140587 | 1-Butanaminium, N, N, N-tributyl-, cyanide (1:1) | Te

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504757584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757584
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
• IUPAC Name: tetrabutylazanium;cyanide
• InChIKey: KRRBFUJMQBDDPR-UHFFFAOYSA-N
• INCHI: 1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
• WGK Germany: 3
• PubChem CID: 165872
• Molecular Weight: 268.48
• Beilstein: 3598808

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: 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: Moisture sensitive
• Melt Point(°C): 89-92°C
• Molecular Weight: 268.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 268.288 Da
• Monoisotopic Mass: 268.288 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 126.000
• 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

1. Jun Wang, Jinjun He, Jinsheng Zhang, Zhiming Chen, Jinfu Liang, Lin Chen.  (2021)  Controllable and reversible sensing cyanide ion using dual-functional Cu(II)-based ensemble.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:33582438] [10.1016/j.saa.2021.119526]

2. Li Denghui, Ma Jie, Wang Huiling, Liu Lian, Yang Honggao.  (2020)  A novel barbituric-based fluorescent probe with aggregation induced emission for the highly sensitive ratiometric detection of cyanide anions.  JOURNAL OF MATERIALS SCIENCE,  56  (2): (1373-1385).  [PMID:] [10.1007/s10853-020-05377-w]

3. Jun Wang, Jinjun He, Jinsheng Zhang, Zhiming Chen, Xiaogang Yin.  (2019)  Controllable and reversible proton transfer for inorganic cyanide visual sensing based on the deprotonation of azo-phenolic hydroxyl group.  SUPRAMOLECULAR CHEMISTRY,      [PMID:] [10.1080/10610278.2019.1676424]