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175854-39-4

175854-39-4 Structure

175854-39-4 Structure
IdentificationBack Directory
[Name]

1,4,7-tris-Boc-1,4,7,10-tetraaza-cyclododecane
[CAS]

175854-39-4
[Synonyms]

TriBoc-Cyclen
N,N',N''-tris-Boc-cyclen
1,4,7-Tri-Boc-1,4,7,10-tetraazacyclododecane
1,4,7-tris-Boc-1,4,7,10-tetraaza-cyclododecane
Tri-tert-Butyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
Tri-tert-butyl 1,4,7,10-tetraazacyclotetradecane-1,4,7-tricarboxylate
1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, tris(1,1-diMethylethyl) ester
1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 1,4,7-tris(1,1-dimethylethyl) ester
[Molecular Formula]

C23H44N4O6
[MDL Number]

MFCD09953471
[MOL File]

175854-39-4.mol
[Molecular Weight]

472.63
Chemical PropertiesBack Directory
[Melting point ]

72-73℃
[Boiling point ]

542.8±35.0 °C(Predicted)
[density ]

1.065
[storage temp. ]

2-8°C
[form ]

powder
[pka]

9.52±0.20(Predicted)
[Sensitive ]

Hygroscopic
[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
[InChIKey]

ZXASHTYJQJMCQR-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCNCCN(C(OC(C)(C)C)=O)CCN(C(OC(C)(C)C)=O)CC1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

Building block used to attach the Cyclen azacrown to a molecular scaffold, building block for a trifold cyclen Zn complex as phosphate dianion receptor in aqueous solution
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