161832-65-1
| Name | Talampanel |
| CAS | 161832-65-1 |
| Molecular Formula | C19H19N3O3 |
| MDL Number | MFCD00871406 |
| Molecular Weight | 337.37 |
| MOL File | 161832-65-1.mol |
Chemical Properties
| Melting point | 169-172° |
| alpha | D -321.34° (c = 1 in methanol) |
| Boiling point | 528.9±60.0 °C(Predicted) |
| density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble15mg/mL, clear |
| form | powder |
| pka | 4.67±0.10(Predicted) |
| color | white to beige |
| Optical Rotation | [α]/D -280 to -340°, c = 1 in methanol |
| InChI | 1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1 |
| InChIKey | JACAAXNEHGBPOQ-LLVKDONJSA-N |
| SMILES | C[C@H](C1)N(C(C)=O)N=C(C2=CC=C(N)C=C2)C3=C1C=C(OCO4)C4=C3 |
Safety Data
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all |
| 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 Aquatic Acute 1 Aquatic Chronic 1 |