| Melting point |
178-179°C |
| Boiling point |
527.2±50.0 °C(Predicted) |
| Density |
1.227±0.06 g/cm3(Predicted) |
| RTECS |
US7968329 |
| storage temp. |
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility |
Soluble in DMSO (up to 25 mg/ml), in DMF (up to 25 mg/ml) or in Ethanol (up to 25 mg/ml). |
| pka |
pKa 8.6 (Uncertain) |
| form |
Almost white crystal powder |
| color |
White |
| Water Solubility |
75.3 mg/L |
| BCS Class |
1 |
| Stability |
Stable for 1 year from date of purchase as supplied. Solutions in DMSO, DMF, or ethanol may be stored at -20°C for up to 3 months. |
| InChI |
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3 |
| InChIKey |
HTIQEAQVCYTUBX-UHFFFAOYSA-N |
| SMILES |
C1(COCCN)NC(C)=C(C(OC)=O)C(C2=CC=CC=C2Cl)C=1C(OCC)=O |
| CAS DataBase Reference |
88150-42-9(CAS DataBase Reference) |
| EPA Substance Registry System |
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester (88150-42-9) |