1191237-80-5
| Name | D-Altrononitrile, 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-O-(1-methylethylidene)- |
| CAS | 1191237-80-5 |
| Molecular Formula | C15H17N5O4 |
| MDL Number | MFCD32693253 |
| Molecular Weight | 331.33 |
| MOL File | 1191237-80-5.mol |
Chemical Properties
| density | 1.66±0.1 g/cm3(Predicted) |
| solubility | DMSO:55.5(Max Conc. mg/mL);167.51(Max Conc. mM) Ethanol:5.0(Max Conc. mg/mL);15.09(Max Conc. mM) PBS (pH 7.2):0.3(Max Conc. mg/mL);0.91(Max Conc. mM) DMF:12.0(Max Conc. mg/mL);36.22(Max Conc. mM) |
| form | A solid |
| pka | 14.14±0.10(Predicted) |
| color | Off-white to light yellow |
| InChI | InChI=1/C15H17N5O4/c1-14(2)23-11-9(5-21)22-15(6-16,12(11)24-14)10-4-3-8-13(17)18-7-19-20(8)10/h3-4,7,9,11-12,21H,5H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15+/s3 |
| InChIKey | IJCOKJGMVJGKBB-ULVJVTQWNA-N |
| SMILES | C([C@@]1(C2=CC=C3C(=NC=NN23)N)O[C@H](CO)[C@@]2([H])OC(C)(C)O[C@@]12[H])#N |&1:1,13,16,23,r| |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
