1627503-67-6
| Name | LDN-214117 |
| CAS | 1627503-67-6 |
| Molecular Formula | C25H29N3O3 |
| MDL Number | MFCD28168043 |
| Molecular Weight | 419.52 |
| MOL File | 1627503-67-6.mol |
Chemical Properties
| Boiling point | 567.9±50.0 °C(Predicted) |
| density | 1.134±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMF:30.0(Max Conc. mg/mL);71.51(Max Conc. mM) DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.19(Max Conc. mM) DMSO:42.67(Max Conc. mg/mL);101.7(Max Conc. mM) Ethanol:54.0(Max Conc. mg/mL);128.72(Max Conc. mM) |
| form | Powder |
| pka | 8.86±0.10(Predicted) |
| color | Light yellow to yellow |
| InChI | 1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3 |
| InChIKey | BHUXVRVMMYAXKN-UHFFFAOYSA-N |
| SMILES | CC(C(C1=CC(OC)=C(OC)C(OC)=C1)=C2)=NC=C2C(C=C3)=CC=C3N4CCNCC4 |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| 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 |