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147597-66-8 2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid

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Product Name 2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid
CAS No. 147597-66-8
Synonyms 2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid; 2-(4-Ncs-Bz)-nota; 1H-1,4,7-triazonine-1,4,7-triacetic acid, hexahydro-2-((4-isothiocyanatophenyl)methyl)-; 2,2',2''-[(8Z)-2-(4-isothiocyanatobenzyl)-2,3,5,6-tetrahydro-1H-1,4,7-triazonine-1,4,7-triyl]triacetic acid
InChI InChI=1/C20H24N4O6S/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31/h1-4,7-8,17H,5-6,9-13H2,(H,25,26)(H,27,28)(H,29,30)/b8-7-
Molecular Formula C20H24N4O6S
Molecular Weight 448.4928
Density 1.37g/cm3
Boiling point 730.1°C at 760 mmHg
Flash point 395.4°C
Refractive index 1.634