1353867-91-0
| Name | 9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]- |
| CAS | 1353867-91-0 |
| EINECS(EC#) | 604-604-1 |
| Molecular Formula | C16H16F3N5 |
| Molecular Weight | 335.33 |
| MOL File | 1353867-91-0.mol |
Chemical Properties
| Boiling point | 447.6±55.0 °C(Predicted) |
| density | 1.35±0.1 g/cm3(Predicted) |
| storage temp. | 4°C, protect from light |
| solubility | DMSO : 125 mg/mL (372.77 mM);Water : < 0.1 mg/mL (insoluble) |
| form | Solid |
| pka | 3.42±0.10(Predicted) |
| color | White to off-white |
| InChI | 1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22) |
| InChIKey | REKSFCCYDQMSIN-UHFFFAOYSA-N |
| SMILES | CC(C)N(C=N1)C2=C1C(NCC3=CC(C(F)(F)F)=CC=C3)=NC=N2 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| WGK Germany | WGK 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 Repr. 2 Skin Irrit. 2 STOT SE 3 |