Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate Hydrobromide

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Catalog Number

ACM149353231-1

Product Name

Structure

CAS

149353-23-1

Category

Heterocyclic Organic Compound

Synonyms

Tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydrobromide

IUPAC Name

tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydrobromide

Molecular Weight

595.61

Molecular Formula

C26H51BrN4O6

Canonical SMILES

CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.Br

InChI

GMECCVFSBLSIKE-UHFFFAOYSA-N

InChI Key

InChI=1S/C26H50N4O6.BrH/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9;/h27H,10-20H2,1-9H3;1H

Melting Point

190-191 °C

Exact Mass

594.29900

H-Bond Acceptor

H-Bond Donor

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.Br

MSDS

COA

Spec Sheet

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