1355170-97-6
| Name | 5-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2-Carboxylic Acid(WX141418) |
| CAS | 1355170-97-6 |
| Molecular Formula | C13H19N3O4 |
| MDL Number | MFCD18074498 |
| Molecular Weight | 281.31 |
| MOL File | 1355170-97-6.mol |
Chemical Properties
| Boiling point | 478.7±40.0 °C(Predicted) |
| density | 1.32±0.1 g/cm3(Predicted) |
| storage temp. | Storage temp. 2-8°C |
| form | solid |
| pka | 4.06±0.20(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-5-4-6-16-9(8-15)7-10(14-16)11(17)18/h7H,4-6,8H2,1-3H3,(H,17,18) |
| InChIKey | BAOVIKKQYWXNLP-UHFFFAOYSA-N |
| SMILES | N12N=C(C(O)=O)C=C1CN(C(OC(C)(C)C)=O)CCC2 |
Safety Data
| Symbol(GHS) |   GHS07,GHS09 |
| Signal word | Warning |
| Hazard statements | H315-H317-H319-H410 |
| Precautionary statements | P261-P264-P273-P280-P280-P391 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |