105394-74-9
| Name | 1-(4-ISOTHIOCYANATOBENZYL)ETHYLENEDIAMINE-N,N,N',N'-TETRAACETIC ACID |
| CAS | 105394-74-9 |
| Molecular Formula | C18H21N3O8S |
| MDL Number | MFCD00236411 |
| Molecular Weight | 439.44 |
| MOL File | 105394-74-9.mol |
Chemical Properties
| Boiling point | 765.3±60.0 °C(Predicted) |
| density | 1.43±0.1 g/cm3(Predicted) |
| storage temp. | −20°C |
| pka | 1.78±0.10(Predicted) |
| BRN | 8363400 |
| InChI | 1S/C18H21N3O8S/c22-15(23)7-20(8-16(24)25)6-14(21(9-17(26)27)10-18(28)29)5-12-1-3-13(4-2-12)19-11-30/h1-4,14H,5-10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29) |
| InChIKey | VHMWJVAFPCGUTJ-UHFFFAOYSA-N |
| SMILES | OC(=O)CN(CC(Cc1ccc(cc1)N=C=S)N(CC(O)=O)CC(O)=O)CC(O)=O |