Tetraxetan

Catalog Number	ACM60239181-2
CAS	60239-18-1
Structure
Synonyms	1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
IUPAC Name	2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Weight	404.42
Molecular Formula	C16H28N4O8
Canonical SMILES	C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChI	WDLRUFUQRNWCPK-UHFFFAOYSA-N
InChI Key	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)
Boiling Point	701.6±60.0 °C(Predicted)
Melting Point	267 °C
Purity	95%+
Appearance	Solid
EC Number	611-959-5
Exact Mass	404.19071386
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Monoisotopic Mass	404.19071386
Rotatable Bond Count	8
Topological Polar Surface Area	162 Ų

Q&A

What is the chemical formula of Tetraxetan?

The chemical formula of Tetraxetan is C16H28N4O8.

What is the molecular weight of Tetraxetan?

The molecular weight of Tetraxetan is 404.42.

What are the synonyms of Tetraxetan?

The synonyms of Tetraxetan include TETRAAZA-12-CROWN-4 TETRAACETIC ACID AMMONIUM SALT, 1,4,7,10-Tetraazacyclododecane, and DOTA.

What is the boiling point of Tetraxetan?

The boiling point of Tetraxetan is predicted to be 701.6±60.0 °C.

What is the color of Tetraxetan?

Tetraxetan is white in color.

What is the melting point of Tetraxetan?

The melting point of Tetraxetan is 267 °C.

What are the hazard codes associated with Tetraxetan?

The hazard code for Tetraxetan is Xi.

How should Tetraxetan be stored?

Tetraxetan should be sealed in dry conditions at room temperature.

What are the uses of Tetraxetan?

Tetraxetan is used as a macrocyclic complexing agent, in radiolabeling, for MRI contrast agents, and in therapeutic radiopharmaceuticals.

What is the stability of Tetraxetan?

Tetraxetan is hygroscopic in nature.