CAS 126320-57-8 Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate

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Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate

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Catalog Number

ACM126320578-2

CAS Number

126320-57-8

Product Name

Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate

Structure

Category

Macrocycles; Supramolecular Host Materials

Synonyms

1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 1,4,8,11-tetraethyl ester

IUPAC Name

ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate

Molecular Weight

544.68

Molecular Formula

C26H48N4O8

Canonical SMILES

CCOC(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC

InChI

HGPDBLIYOCNCEH-UHFFFAOYSA-N

InChI Key

InChI=1S/C26H48N4O8/c1-5-35-23(31)19-27-11-9-12-29(21-25(33)37-7-3)17-18-30(22-26(34)38-8-4)14-10-13-28(16-15-27)20-24(32)36-6-2/h5-22H2,1-4H3

Melting Point

87-89 °C

Purity

98%

Appearance

White to yellow powder

Complexity

595

Covalently-Bonded Unit Count

Exact Mass

544.34721450

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

544.34721450

Rotatable Bond Count

Topological Polar Surface Area

118 Å²

MSDS

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COA

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Spec Sheet

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