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

CAS
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CAS
18084-64-5
Size
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Purity
97%
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Catalog Number

ACM18084645-1

Product Name

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

Structure

CAS

18084-64-5

Category

Heterocyclic Organic Compound

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

Complexity

517

Covalently-Bonded Unit Count

EC Number

449-410-5

Exact Mass

532.35659742

H-Bond Acceptor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

532.35659742

Rotatable Bond Count

Topological Polar Surface Area

13 Å²

MSDS

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COA

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Spec Sheet

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