ChemFOnt: Showing chemical card for Tetraacetylethylenediamine (CFc000021445)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:13:15 UTC

Chemfont ID

CFc000021445

Molecule Identification

Common Name

Tetraacetylethylenediamine

Definition

Bleach activator used in food-contact paper and paperboard. TAED is an important component of detergents and bleaches. Its is an activator for "active oxygen" bleaching agents. Such active oxygen bleaching agents release hydrogen peroxide during the wash cycle. Such agents include sodium perborate, sodium percarbonate, sodium perphosphate, sodium persulfate, and urea peroxide. The released hydrogen peroxide is an inefficient bleach below 40 Â°C, except in the presence of activators such as TAED. Tetraacetylethylenediamine, commonly abbreviated TAED, is an organic compound with the formula (CH3C(O))2NCH2CH2N(C(O)CH3)2. This colourless compound is often dyed blue or green for use in laundry detergents, its most significant application. It is produced by acetylation of ethylenediamine. The activation process entails a reaction of the hydrogen peroxide with TAED to release peracetic acid, which is a fast-acting bleaching agent.:.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Descarbamylnovobiocin	HMDB
N,N'-1,2-ethanediylbis(N-acetyl-acetamide	HMDB
N,N'-1,2-ethanediylbis[N-acetyl-acetamide	HMDB
N,N'-1,2-ethanediylbis[N-acetylacetamide], 9ci	HMDB
N,N'-ethylenebis(diacetamide)	HMDB
N,N'-ethylenebis(diacetamide), 8ci	HMDB
N,N'-ethylenebis(N-acetylacetamide)	HMDB
N,N,N',n'-tetraacetylethylenediamine	HMDB
N-Acetyl-N-[2-(diacetylamino)ethyl]acetamide	HMDB
Tetracetylethylenediamine	HMDB
TAED compound	MeSH

Chemical Formula

C₁₀H₁₆N₂O₄

Average Molecular Weight

228.245

Monoisotopic Molecular Weight

228.11100701

IUPAC Name

N-acetyl-N-[2-(N-acetylacetamido)ethyl]acetamide

Traditional Name

tetraacetylethylenediamine

CAS Registry Number

10543-57-4

SMILES

CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O

InChI Identifier

InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3

InChI Key

BGRWYDHXPHLNKA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-substituted carboxylic acid imides. N-substituted carboxylic acid imides are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

N-substituted carboxylic acid imides

Alternative Parents

Substituents

Carboxylic acid imide, n-substituted
Acetamide
Dicarboximide
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040573)
Cytoplasm (HMDB: HMDB0040573)

Source

Exogenous

Exogenous (HMDB: HMDB0040573)

Food

Food (HMDB: HMDB0040573)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0040573)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	7.33 g/L	ALOGPS
logP	0.02	ALOGPS
logP	-1.8	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Basic)	-5.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	74.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	55.89 m³·mol⁻¹	ChemAxon
Polarizability	22.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0040573

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB020351

KNApSAcK ID

Not Available

Chemspider ID

59725

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tetraacetylethylenediamine

METLIN ID

Not Available

PubChem Compound

66347

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Tetraacetylethylenediamine (CFc000021445)

MOL for CFc000021445 (Tetraacetylethylenediamine)

3D MOL for CFc000021445 (Tetraacetylethylenediamine)

3D SDF for CFc000021445 (Tetraacetylethylenediamine)

3D-SDF for CFc000021445 (Tetraacetylethylenediamine)

PDB for CFc000021445 (Tetraacetylethylenediamine)

3D PDB for CFc000021445 (Tetraacetylethylenediamine)

SMILES for CFc000021445 (Tetraacetylethylenediamine)

INCHI for CFc000021445 (Tetraacetylethylenediamine)

Structure for CFc000021445 (Tetraacetylethylenediamine)

3D Structure for CFc000021445 (Tetraacetylethylenediamine)