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

Names

[ Name ]:
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid

[Synonym ]:
NOTA-Bn-NCS
1,4,7-triazacyclononane-1,4,7-triaceticacid
p-SCN-Bn-NOTA
ITC-benzyl-1,4,7-triaza-cyclononane-N,N',N''-triacetic acid

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
730.1ºC at 760mmHg

[ Molecular Formula ]:
C₂₀H₂₆N₄O₆S

[ Molecular Weight ]:
450.50900

[ Flash Point ]:
395.4ºC

[ Exact Mass ]:
450.15700

[ PSA ]:
166.07000

[ LogP ]:
0.31910

[ Vapour Pressure ]:
2.24E-22mmHg at 25°C

[ Index of Refraction ]:
1.634

Related Compounds

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