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1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane

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Catalog Number

ACM18084645-2

Product Name

Structure

CAS

18084-64-5

Product Overview
Usage

Synonyms

1,4,7,10-tetrabenzylcyclen

IUPAC Name

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane

Molecular Weight

532.76

Molecular Formula

C36H44N4

Canonical SMILES

C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

VXOJKUWHCFFUCO-UHFFFAOYSA-N

InChI Key

InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2

Boiling Point

639.2±50.0 °C(Predicted)

Melting Point

140-142 ºC

Purity

97%

Complexity

517

Covalently-Bonded Unit Count

EC Number

449-410-5

Exact Mass

532.35659742

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

532.35659742

Rotatable Bond Count

Topological Polar Surface Area

13 Å²

Application

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane is designed to function as a fluoride receptor, taking advantage of its structure as a tetrabenzylated derivative of cyclam. This property allows it to effectively interact with fluoride ions, which is particularly noteworthy in its solid-state form. Its unique chemical configuration enables specific applications where fluoride detection or capture is required, making it a valuable component in various analytical and industrial processes.

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CAS
Size
Purity
Price
Quantity
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18084-64-5
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97%
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