2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid

Basic Information

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CAS Number

60239-18-1

Molecular Formula

C16H28N4O8

Molecular Weight

404.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

267°C

Boiling Point

701.6 °C at 760 mmHg

Density

1.321

Flash Point

378.1 °C

Refractive Index

1.531

SMILES

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OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

InChI

InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

InChIKey

WDLRUFUQRNWCPK-UHFFFAOYSA-N

LogP

-2.4535999999999927

Topological Polar Surface Area

162.15999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

447

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid
Tetraxetan
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic-acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakisacetic acid
1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETIC ACID
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
DOTA
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
Dota acid
1,4,7,10-Dota
1HTE449DGZ
MLS001333612
NSC681107
AK124371
SMR000857276
1,4,7

MDL Number

MFCD00068657

Customs Code

2933990090

FAQ

What is 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1)?

2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1) is a tetrafunctional chelating agent with four carboxylic acid groups attached to a macrocyclic polyamine structure. It is known for its high stability and strong binding affinity for metal ions, making it useful in various chemical applications. The compound is commonly used as a ligand in coordination chemistry and for complexation in analytical and pharmaceutical contexts.

What are the main uses of 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1)?

2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1) is primarily used in pharmaceuticals as a chelating agent for metal ion complexation. It also finds applications in industrial processes, such as water treatment and metal recovery, and in research for analytical chemistry and radiopharmaceuticals. Its ability to form stable complexes with various metal ions makes it valuable in multiple fields.

Is 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1) safe?

2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1) is generally considered safe when handled properly. However, it should be used with appropriate protective measures, such as gloves and goggles, to avoid direct contact. Safety data sheets (SDS) recommend following standard chemical safety protocols to ensure safe handling and storage, particularly in industrial and research settings.

How should 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1) be stored?

2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (CAS: 60239-18-1) should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prolong its shelf life for both research and industrial applications.