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102650-30-6

Name 1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid
CAS 102650-30-6
Molecular Formula C22H28N4O10S
Molecular Weight 540.54
MOL File 102650-30-6.mol
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Chemical Properties

Boiling point  858.8±65.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
form  Solid
pka 1.76±0.10(Predicted)
color  White to off-white
InChIKey VAOYPHGXHKUTHC-KRWDZBQOSA-N
SMILES C(O)(=O)CN(CCN(CC(O)=O)CC(O)=O)C[C@@H](N(CC(O)=O)CC(O)=O)CC1=CC=C(N=C=S)C=C1

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