HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9855513Erstellt: 4. November 2026
4-amino-2,3-dihydro-1H-isoindol-1-one
4-Aminoisoindolin-1-one · 4-Amino-2,3-dihydro-isoindol-1-one · 4-amino-2,3-dihydro-1H-isoindol-1-one · 1H-Isoindol-1-one, 4-aMino-2,3-dihydro- · 1H-Isoindol-1-one, 4-amino-2,3-dihydro- (9CI)
https://huagongshe.com/de/chemical/9855513
Identifikatoren & physikalische Daten
| CAS No. | 366452-98-4 |
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| Summenformel | C8H8N2O |
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| Durchschnittliche Molmasse | 148,16 g/mol |
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| Monoisotopische Masse | 148,06366288 g/mol |
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| SMILES | Nc1cccc2c1CNC2=O |
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| InChIKey | GZRGLZWHIFBBLS-UHFFFAOYSA-N |
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| PubChem CID | 9855513 |
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| ChEMBL | CHEMBL169140 |
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| EC No. | 868-944-3 |
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| DTXSID | DTXSID90431804 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 181 |
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| Schmelzpunkt | 225-230° |
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| Siedepunkt | 489.8±45.0 °C(Predicted) |
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| Dichte | 1.307±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 14.24±0.20(Predicted) |
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| InChI | InChI=1S/C8H8N2O/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4,9H2,(H,10,11) |
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| InChIKey | GZRGLZWHIFBBLS-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C(N)=CC=C2)CN1 |
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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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2933998090 |
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| Gefahrenklasse | IRRITANT |
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