AG00218R

175854-39-4 | 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 1,4,7-tris(1,1-dimethylethyl) ester

AG00218R

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CAS Number	175854-39-4
Catalog Number	AG00218R(AGN-PC-0QAU2P)
Chemical Name	1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 1,4,7-tris(1,1-dimethylethyl) ester
IUPAC Name	tritert-butyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
InChI	InChI=1S/C23H44N4O6/c1-21(2,3)31-18(28)25-12-10-24-11-13-26(19(29)32-22(4,5)6)15-17-27(16-14-25)20(30)33-23(7,8)9/h24H,10-17H2,1-9H3
InChI Key	ZXASHTYJQJMCQR-UHFFFAOYSA-N
MDL Number	MFCD09953471
Molecular Formula	C23H44N4O6
Molecular Weight	472.6187
SMILES	N1(CCN(CCN(CCNCC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Synonyms	175854-39-4, Tri-tert-Butyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate, 1,4,7-Tri-Boc-1,4,7,10-tetraazacyclododecane, 1,4,7-tris-Boc-1,4,7,10-tetraaza-cyclododecane, AK103030, 1,4,7-tri-Boc-1,4,7,10-tetraaza-cyclododecane, 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylicacid, 1,4,7-tris(1,1-dimethylethyl) ester, TrisBoc-cyclen, ACMC-20aazv, N,N',N''-tris-Boc-cyclen, SCHEMBL2220355, CTK4D6018, DTXSID60447053, C23H44N4O6, KS-00000QB6, ANW-65177, MFCD09953471, ZINC39959761, AKOS015911763, CS-W004649, DS-4003, FC-2135, LS41673, 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 1,4,7-tris(1,1-dimethylethyl) ester, ACM175854394, AJ-101473, AX8234569, DB-027331, RT-005857, 4CH-024153, FT-0721142, ST24050237, Z5691, A-7573, J-011140, I14-37121, 1,4,7-Tri-Boc-1,4,7,10-tetraazacyclododecane, 98%, 1,4,7-Tri-Boc-1,4,7,10-tetraaza-cyclododecane, 97%, 1,4,7-tris-(t-butyl-oxycarbonyl)-1,4,7,10-tetraazacyclododecane, tritert-butyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate, 1,4,7-tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate, N,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-Tri-Boc-cyclen, ACN-026458, CID10885210, CID 10885210, 1,4,7-Tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecane,

Complexity	621
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	472.326g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	472.627g/mol
Monoisotopic Mass	472.326g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number