127985-74-4

Name 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-
CAS 127985-74-4
Molecular Formula C24H33N5O8S
MDL Number MFCD11112156
Molecular Weight 551.61
MOL File 127985-74-4.mol

Chemical Properties

Boiling point  826.9±65.0 °C(Predicted)
density  1.39±0.1 g/cm3(Predicted)
form  Solid
pka 2.46±0.10(Predicted)
color  White to off-white
InChIKey UDOPJKHABYSVIX-UHFFFAOYSA-N
SMILES N1(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1CC1=CC=C(N=C=S)C=C1

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