Triethylammonium Acetate(TEAA) - 1 M Solution , CAS No.5204-74-0

CAS: 5204-74-0 Cat. No.: T345383 Molecular Weight: 161.24 EC Number: 225-995-0

GRADE & PURITY 1 M Solution

Synonyms

triethylamine acetate | Ethanamine, N,N-diethyl-, acetate | AVBGNFCMKJOFIN-UHFFFAOYSA-N | DTXSID5063736 | Acetic acid triethylamine | Q7841459 | Triethylammonium Acetate (2.0mol/L in Water) | HOAc Et3N | MFCD00151725 | Triethylammonium acetate | Triethyla

Storage

Room temperature

Shipped In

Normal

Overview

Triethylammonium acetate is a mixture of triethylamine (TEA) and acetic acid (AcOH). This is generally used as a solvent in organic synthesis. Triethylammonium acetate is known as a protic ionic liquid since it is a combination of Bronsted acid and base.

Application：

Triethylammonium Acetate, 1 M Solution - CAS 5204-74-0 – calbiochem has been used:

as a component of high-performance liquid chromatography (HPLC) buffer D and E for the “SMCC-TriNTA purification” program；

as a component of HPLC buffer A for the purification of commercial 5-hydroxymethyl dCTP (5-hmdCTP) using HPLC technique；

along with acetonitrile as a buffering reagent for the purification of SMCC-linked TriNTA by reverse-phase HPLC (RP-HPLC)。

Specifications

Synonyms

triethylamine acetate | Ethanamine, N, N-diethyl-, acetate | AVBGNFCMKJOFIN-UHFFFAOYSA-N | DTXSID5063736 | Acetic acid triethylamine | Q7841459 | Triethylammonium Acetate (2.0mol/L in Water) | HOAc Et3N | MFCD00151725 | Triethylammonium acetate | Triethyla

Specifications & Purity

1 M Solution

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488188382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188382
• Canonical Smiles: CCN(CC)CC.CC(=O)O
• IUPAC Name: acetic acid;N,N-diethylethanamine
• InChIKey: AVBGNFCMKJOFIN-UHFFFAOYSA-N
• INCHI: 1S/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
• Isomeric SMILES: CCN(CC)CC.CC(=O)O
• Molecular Weight: 161.24
• Reaxy-Rn: 3688333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3688333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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: 161.240 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 161.142 Da
• Monoisotopic Mass: 161.142 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 56.700
• 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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