(p-SCN-Bn)-NOTA
- Product Name(p-SCN-Bn)-NOTA
- CAS147597-66-8
- MFC20H26N4O6S
- MW450.51
- EINECS
- MOL File147597-66-8.mol
Chemical Properties
| 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 |
