(2-Hydroxyethyl)triethylammonium Iodide - ≥98% , CAS No.5957-17-5

CAS: 5957-17-5 Cat. No.: H157036 Molecular Weight: 273.16 EC Number: 679-900-6 PubChem CID: 80057

GRADE & PURITY ≥98%

Synonyms

AS-65817 | HY-W127668 | H0407 | 2-Hydroxyethyl triethyl ammonium iodide | 6-([(4-Methylphenyl)sulfonyl]amino)hexanoic acid | AMMONIUM, TRIETHYL(2-HYDROXYETHYL)-, IODIDE | Ethanaminium, N,N,N-triethyl-2-hydroxy-, iodide | N,N,N-Triethyl-2-hydroxyethanamini

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-65817 | HY-W127668 | H0407 | 2-Hydroxyethyl triethyl ammonium iodide | 6-([(4-Methylphenyl)sulfonyl]amino)hexanoic acid | AMMONIUM, TRIETHYL(2-HYDROXYETHYL)-, IODIDE | Ethanaminium, N, N, N-triethyl-2-hydroxy-, iodide | N, N, N-Triethyl-2-hydroxyethanamini

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755434
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755434
• Canonical Smiles: CC[N+](CC)(CC)CCO.[I-]
• IUPAC Name: triethyl(2-hydroxyethyl)azanium;iodide
• InChIKey: XQDHXDORJFXNDX-UHFFFAOYSA-M
• INCHI: 1S/C8H20NO.HI/c1-4-9(5-2,6-3)7-8-10;/h10H,4-8H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: CC[N+](CC)(CC)CCO.[I-]
• RTECS: BR1215950
• PubChem CID: 80057
• Molecular Weight: 273.16
• Reaxy-Rn: 3696842

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: 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - 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

Chemical and Physical Properties

• Molecular Weight: 273.160 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 273.059 Da
• Monoisotopic Mass: 273.059 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 71.100
• 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

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