Trimethyltetradecylammonium hydrogen sulfate - ≥98% , CAS No.104903-23-3

CAS: 104903-23-3 Cat. No.: T129134 Molecular Weight: 353.56 EC Number: 626-449-8 PubChem CID: 16218630

GRADE & PURITY ≥98%

Synonyms

104903-23-3|Trimethyltetradecylammonium hydrogen sulfate|Tetradecyltrimethylammonium hydrogen sulfate|hydrogen sulfate;trimethyl(tetradecyl)azanium|DTXSID70584988|AKOS025243967|F87501|N,N,N-Trimethyltetradecan-1-aminium permanganate|J-001291|N,N,N-Trimeth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

104903-23-3 | Trimethyltetradecylammonium hydrogen sulfate | Tetradecyltrimethylammonium hydrogen sulfate | hydrogen sulfate;trimethyl(tetradecyl)azanium | DTXSID70584988 | AKOS025243967 | F87501 | N, N, N-Trimethyltetradecan-1-aminium permanganate | J-001291 | N, N, N-Trimeth

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768359
• Canonical Smiles: CCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;trimethyl(tetradecyl)azanium
• InChIKey: LRWSTBIEJXJNJY-UHFFFAOYSA-M
• INCHI: 1S/C17H38N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5(2,3)4/h5-17H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 16218630
• Molecular Weight: 353.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic sulfate salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic sulfate salts
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfate salts
• Alternative Parents: Tetraalkylammonium salts Organic sulfuric acids and derivatives Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic sulfate salt - Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfate salts. These are organic compounds containing a sulfate ion.
• 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 353.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 353.26 Da
• Monoisotopic Mass: 353.26 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 233.000
• 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

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