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2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(pent-4-enyl)isoindole-1,3-dione · 2-(Pent-4-enyl)-isoindoline-1,3-dione · 2-(PENT-4-EN-1-YL)ISOINDOLINE-1,3-DIONE · 2-pent-4-en-1-yl-1H-isoindole-1,3(2H)-dione · 2-(pentyl-4-ene-1-yl)isoindoleline-1,3-dione · 1H-Isoindole-1,3(2H)-dione, 2-(4-penten-1-yl)- · 2-(Pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
Identifikatoren & physikalische Daten
| CAS No. | 7736-25-6 |
|---|---|
| Summenformel | C13H13NO2 |
| Durchschnittliche Molmasse | 215,25 g/mol |
| Monoisotopische Masse | 215,09462866 g/mol |
| SMILES | C=CCCCN1C(=O)c2ccccc2C1=O |
| InChIKey | BYKYMPVVZNUAEX-UHFFFAOYSA-N |
| PubChem CID | 339434 |
| EC No. | 976-241-9 |
| DTXSID | DTXSID30320900 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 287 |
| Schmelzpunkt | 40 °C |
| Siedepunkt | 155-157 °C(Press: 2 Torr) |
| Dichte | 1.164±0.06 g/cm3(Predicted) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Low-Melting Solid |
| pKa (Säurekonstante) | -2.12±0.20(Predicted) |
| Farbe | White to Pale Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
2-(4-Penten-1-yl)-1H-isoindole-1,3(2H)-dione is an intermediate in synthesizing 4-Penten-1-amine (P227400), which in the presence of sugars, lysine, similarly to asparagine and phenylalanine, can undergo carbonyl-assisted decarboxylative deamination reaction to generate pent-4-en-1-amine, the counterpart of acrylamide.