127044-59-1
| Name | 8-HYDROXY-N,N,N',N',N'',N''-HEXAMETHYLPYRENE-1,3,6-TRISULFONAMIDE |
| CAS | 127044-59-1 |
| Molecular Formula | C22H25N3O7S3 |
| MDL Number | MFCD00037576 |
| Molecular Weight | 539.64 |
| MOL File | 127044-59-1.mol |
Chemical Properties
| Melting point | 276 °C(lit.) |
| Boiling point | 780.7±70.0 °C(Predicted) |
| density | 1.511±0.06 g/cm3(Predicted) |
| solubility | DMF: soluble |
| form | solid |
| pka | 6.02±0.30(Predicted) |
| InChI | 1S/C22H25N3O7S3/c1-23(2)33(27,28)18-11-17(26)13-7-8-15-19(34(29,30)24(3)4)12-20(35(31,32)25(5)6)16-10-9-14(18)21(13)22(15)16/h7-12,26H,1-6H3 |
| InChIKey | IMRMTOQIIAICNM-UHFFFAOYSA-N |
| SMILES | CN(C)S(=O)(=O)c1cc(O)c2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C |