19916-73-5
| Name | 6-O-Benzylguanine |
| CAS | 19916-73-5 |
| EINECS(EC#) | 1592732-453-0 |
| Molecular Formula | C12H11N5O |
| MDL Number | MFCD00269931 |
| Molecular Weight | 241.25 |
| MOL File | 19916-73-5.mol |
Chemical Properties
| Appearance | Light Yellow Solid |
| Melting point | 193(dec.) |
| Boiling point | 459.3±55.0 °C(Predicted) |
| density | 1.48±0.1 g/cm3(Predicted) |
| storage temp. | room temp |
| solubility | methanol: 20 mg/mL |
| form | solid |
| pka | 7.47±0.20(Predicted) |
| color | Off-White to Light Yellow |
| Usage | An irreversible inhibitor of the mammalian DNA repair protein, O6-alkylguanine-DNA alkyltransferase. Assists in the protection against carcinogenic and therapeutic alkylating agents. |
| Detection Methods | HPLC |
| InChI | InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) |
| InChIKey | KRWMERLEINMZFT-UHFFFAOYSA-N |
| SMILES | N1C2C(=NC(N)=NC=2OCC2=CC=CC=C2)NC=1 |
| CAS DataBase Reference | 19916-73-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| REACH Registrations | Inactive |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
