1,7-di-tert-butyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate

1,7-di-tert-butyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate

Formula: C18H36N4O4

SMILES: CC(C)(C)OC(=O)N1CCNCCN(CCNCC1)C(=O)OC(C)(C)C

IUPAC: 1,7-di-tert-butyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate

InChI: InChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)21-11-7-19-9-13-22(14-10-20-8-12-21)16(24)26-18(4,5)6/h19-20H,7-14H2,1-6H3

Composition: C (58.04%), H (9.74%), N (15.04%), O (17.18%)

Molar Mass: 372.51

Atom Count: 62

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	372.273655655
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PXQCINUNCOJXGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.89
Topological Polar Surface Area	83.14
Polarizability	40.03
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H36N4O4		Quote Only