Tetraethylammonium chloride monohydrate - ≥98% , CAS No.68696-18-4

CAS: 68696-18-4 Cat. No.: T113708 Molecular Weight: 183.72 Beilstein Registry Number: 3573492 EC Number: 677-014-4 PubChem CID: 16211205

GRADE & PURITY ≥98%

Synonyms

1015691-13-0 | AKOS015907933 | Tetraethylammonium chloride hydrate | SCHEMBL228998 | tetraethylammoniumchloride hydrate | Tetraethylammonium chloride monohydrate | TETRAETHYLAMMONIUM CHLORIDE MONOHYDRATE, 98% | tetraethylazanium chloride hydrate | FT-06

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

1015691-13-0 | AKOS015907933 | Tetraethylammonium chloride hydrate | SCHEMBL228998 | tetraethylammoniumchloride hydrate | Tetraethylammonium chloride monohydrate | TETRAETHYLAMMONIUM CHLORIDE MONOHYDRATE, 98% | tetraethylazanium chloride hydrate | FT-06

Specifications & Purity

≥98%

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC[N+](CC)(CC)CC.O.[Cl-]
• IUPAC Name: tetraethylazanium;chloride;hydrate
• InChIKey: CALLTGJPWMIDPC-UHFFFAOYSA-M
• INCHI: 1S/C8H20N.ClH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1
• Isomeric SMILES: CC[N+](CC)(CC)CC.O.[Cl-]
• WGK Germany: 3
• PubChem CID: 16211205
• Molecular Weight: 183.72
• Beilstein: 3573492

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 oxides Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic.
• Molecular Weight: 183.720 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 183.139 Da
• Monoisotopic Mass: 183.139 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 47.500
• 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: 3

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