ChemicalBook--->CAS DataBase List--->114873-37-9

114873-37-9

114873-37-9 Structure

114873-37-9 Structure
IdentificationBack Directory
[Name]

1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR
[CAS]

114873-37-9
[Synonyms]

Gadobutrol Impurity 41
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid
1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid (DO3A)
2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid 2,2,2- trifluoroacetic acid
[Molecular Formula]

C14H26N4O6
[MDL Number]

MFCD30532453
[MOL File]

114873-37-9.mol
[Molecular Weight]

346.38
Chemical PropertiesBack Directory
[Melting point ]

260℃
[Boiling point ]

617.6±55.0 °C(Predicted)
[density ]

1.242±0.06 g/cm3(Predicted)
[solubility ]

soluble in Water
[form ]

Solid
[pka]

2.46±0.10(Predicted)
[color ]

Beige Coloured
[InChI]

InChI=1S/C14H26N4O6/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24)
[InChIKey]

HHLZCENAOIROSL-UHFFFAOYSA-N
[SMILES]

N1(CC(O)=O)CCNCCN(CC(O)=O)CCN(CC(O)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

DONA combines with lanthanides to from lanthanide-azacrown coordination complexes. Also it is reported that DONA can be used as potential contrast agents for magnetic resonance imaging (MRI). This compound can be used to target, treat and diagnose tumors.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR(114873-37-9)1HNMR
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