354815-90-0
| Name | 3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID |
| CAS | 354815-90-0 |
| Molecular Formula | C13H13NO2 |
| MDL Number | MFCD01593500 |
| Molecular Weight | 215.25 |
| MOL File | 354815-90-0.mol |
Chemical Properties
| Boiling point | 406.5±45.0 °C(Predicted) |
| density | 1.250±0.06 g/cm3(Predicted) |
| solubility | DMSO : 50 mg/mL (232.29 mM; Need ultrasonic) |
| form | Solid |
| pka | 2.06±0.20(Predicted) |
| color | Brown to black |
| InChI | 1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16) |
| InChIKey | WRJCENKZISEXPF-UHFFFAOYSA-N |
| SMILES | O=C(O)C1NC2=CC=CC=C2C3C=CCC13 |
Safety Data
| Hazard Codes | Xi,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2933990099 |
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |