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| IUPAC Name: | diethyl (E)-but-2-enedioate |
| Description: | Diethyl fumarate (CAS# 623-91-6) is a reagent in the preparation of chiral hydroisoindolines via Diels-Alder cycloaddition which are potent, brain-penetrant, human neurokinin-1 receptor antagonists. |
| Molecular Weight: | 172.18 |
| Molecular Formula: | C8H12O4 |
| Canonical SMILES: | CCOC(=O)C=CC(=O)OCC |
| InChI: | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChI Key: | IEPRKVQEAMIZSS-AATRIKPKSA-N |
| Boiling Point: | 218-219 °C |
| Melting Point: | 0.8 °C |
| Flash Point: | 104 °C Closed Cup |
| Purity: | 97 % |
| Density: | 1.052 g/cm3 |
| Appearance: | White crystal or in liquid form |
| Decomposition: | When heated to decomposition it emits acrid smoke and fumes |
| MDL: | MFCD00064455 |
| LogP: | 0.66880 |
| Vapor Pressure: | 0.17 [mmHg] |
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Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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