| Identification | Back Directory | [Name]
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid | [CAS]
147597-66-8 | [Synonyms]
NOTA-Bn-NCS
NOTA-p-NCS-Bn
(p-SCN-Bn)-NOTA
p-SCN-Bn-NOTA(B-605)
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-tri...
2-S-(4-Aminobenzyl)-1, 4, 7-triazacyclononane-1, 4, 7-triacetic acid
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid
2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-2-[(4-isothiocyanatophenyl)methyl]-
2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]aceticaci
2-(ρ-Isothiocyanatobenzyl)-1,4,7-triazacyclononane- -N,N',N,"-triacetic acid trihydrochloride | [Molecular Formula]
C20H26N4O6S | [MOL File]
147597-66-8.mol | [Molecular Weight]
450.51 |
| Chemical Properties | Back Directory | [Boiling point ]
716.5±60.0 °C(Predicted) | [density ]
1.37±0.1 g/cm3(Predicted) | [pka]
2.12±0.10(Predicted) | [InChI]
InChI=1S/C20H26N4O6S/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/h1-4,17H,5-13H2,(H,25,26)(H,27,28)(H,29,30) | [InChIKey]
ABEIJMWLNYUWMD-UHFFFAOYSA-N | [SMILES]
N1(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1CC1=CC=C(N=C=S)C=C1 |
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