Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate

Catalog Number	ACM170161270-1
CAS	170161-27-0
Structure
Synonyms	1,4,8-Tri-Boc-1,4,8,11-Tetraazacyclotetradecane; N,N',N''-Tri-Boc-Cyclam
IUPAC Name	tritert-butyl 1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
Molecular Weight	500.67
Molecular Formula	C25H48N4O6
InChI	FIPOUUYFPSMVMX-UHFFFAOYSA-N
InChI Key	InChI=1S/C25H48N4O6/c1-23(2,3)33-20(30)27-15-11-16-29(22(32)35-25(7,8)9)19-18-28(14-10-12-26-13-17-27)21(31)34-24(4,5)6/h26H,10-19H2,1-9H3
Boiling Point	570.3±45.0 °C(Predicted)
Melting Point	48-54 °C
Purity	97%
Isomeric SMILES	CC(C)(C)OC(=O)N1CCCNCCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C