1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane

Catalog Number	ACM247193744-1
CAS	247193-74-4
Structure
Synonyms	2-[4,7,10-Tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
IUPAC Name	2-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Weight	530.66
Molecular Formula	C25H46N4O8
Canonical SMILES	CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)O
InChI	NDHHFZCDHYVCTI-UHFFFAOYSA-N
InChI Key	InChI=1S/C25H46N4O8/c1-23(2,3)35-20(32)27-12-10-26(18-19(30)31)11-13-28(21(33)36-24(4,5)6)15-17-29(16-14-27)22(34)37-25(7,8)9/h10-18H2,1-9H3,(H,30,31)
Boiling Point	611.6±55.0 °C(Predicted)
Melting Point	138 °C
Purity	98%
Appearance	White powder
Exact Mass	530.33200
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)O