Tetra-n-octylammonium Iodide - ≥98%(T) , CAS No.16829-91-7

CAS: 16829-91-7 Cat. No.: T162057 Peso molecular: 593.81 Número EC: 677-328-1 PubChem CID: 11180877

GRADE & PURITY ≥98%(T)

Synonyms

T1155 | A882178 | tetraoctylazanium;iodide | Tetraoctylazanium Iodide | DTXSID90457827 | T71903 | 1-Octanaminium, N,N,N-trioctyl-, iodide (1:1) | SCHEMBL310445 | tetraoctylammonium iodide | (2E)-3-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACRYLICACID | Tetra-n-octy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

T1155 | A882178 | tetraoctylazanium;iodide | Tetraoctylazanium Iodide | DTXSID90457827 | T71903 | 1-Octanaminium, N, N, N-trioctyl-, iodide (1:1) | SCHEMBL310445 | tetraoctylammonium iodide | (2E)-3-(2-PHENYL-2H-1, 2, 3-TRIAZOL-4-YL)ACRYLICACID | Tetra-n-octy

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488197251
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197251
• Sonrisas canónicas: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]
• IUPAC Name: tetraoctylazanium;iodide
• InChIKey: KGPZZJZTFHCXNK-UHFFFAOYSA-M
• INCHI: 1S/C32H68N.HI/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]
• PubChem CID: 11180877
• Peso molecular: 593.81
• Reaxy-Rn: 4168851

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organic iodide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 128.0 - 132.0 °C
• Peso molecular: 593.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 28
• Exact Mass: 593.44 Da
• Monoisotopic Mass: 593.44 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 281.000
• 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

Referencias

1. Xuan Lu, Yang Hu, Jiazhuang Guo, Cai-Feng Wang, Su Chen.  (2019)  Fiber-Spinning-Chemistry Method toward In Situ Generation of Highly Stable Halide Perovskite Nanocrystals.  Advanced Science,  6  (22): (1901694).  [PMID:31763152] [10.1002/advs.201901694]

2. Guoqing Bian, Dong Chen, Yuping Chen, Wei Zhang, Liang Fang, Qing You, Runguo Wang, Wanmiao Gu, Yue Zhou, Nan Yan, Shengli Zhuang, Shiyu Ji, Meng Zhou, Chengming Wang, Lingwen Liao, Qing Tang, Jun Yang, Zhikun Wu.  (2025)  Remove the innermost atom of a magnetic multi-shell gold nanoparticle for near-unity conversion of CO2 to CO.  Science Advances,  11  (15):   [PMID:40203115] [10.1126/sciadv.adu1996]