HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Octahydroisoindole
ctahydro-isoindole · OCTAHYDRO-ISOINDOLE · Octahydro-1H-isoindoL · OCTAHYDRO-1H-ISOINDOLE · Cis- hexahydroisoindole · cis-Octahydro-isoindole · 1H-Isoindole, octahydro- · Cis-octahydro-isoindoline
Identifikatoren & physikalische Daten
| CAS No. | 21850-12-4 |
|---|---|
| Summenformel | C8H15N |
| Durchschnittliche Molmasse | 125,21 g/mol |
| Monoisotopische Masse | 125,12044948 g/mol |
| SMILES | C1CCC2CNCC2C1 |
| InChIKey | ODSNARDHJFFSRH-UHFFFAOYSA-N |
| PubChem CID | 409979 |
| EC No. | 810-717-8 |
| DTXSID | DTXSID60944456 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 88,7 |
| Siedepunkt | 90 °C(Press: 14 Torr) |
| Dichte | 1.081 g/cm3 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 11.53±0.20(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Yellow |
| CAS Datenbank | 21850-12-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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%) |
| Zollcode | 2933998090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Octahydro-isoindole is used in the preparation of nitrogen containing heterocycles as FGFR inhibitors.