19741-14-1
| Name | 4-[N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)-N-METHYLAMINO] BENZOIC ACID |
| CAS | 19741-14-1 |
| Molecular Formula | C15H15N7O2 |
| MDL Number | MFCD00075774 |
| Molecular Weight | 325.33 |
| MOL File | 19741-14-1.mol |
Chemical Properties
| Melting point | 255 °C (dec.)(lit.) |
| Boiling point | 689.3±65.0 °C(Predicted) |
| density | 1.532 |
| storage temp. | Keep in dark place,Sealed in dry,2-8°C |
| solubility | Aqueous Base, DMSO |
| form | neat |
| pka | 4.63±0.10(Predicted) |
| color | Dark Yellow to Very Dark Brown |
| Stability: | Hygroscopic |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21) |
| InChIKey | LWCXZSDKANNOAR-UHFFFAOYSA-N |
| SMILES | N(Cc2nc3c(nc(nc3N)N)nc2)(C)c1ccc(cc1)C(=O)O |
| CAS DataBase Reference | 19741-14-1 |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Muta. 2 Repr. 1B Skin Irrit. 2 |