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

Catalog Number	ACM149353231-1
CAS	149353-23-1
Structure
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
Purity	97%
Exact Mass	594.29900
Isomeric SMILES	CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.Br