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1H-Indol-3-acetamid
INDOLE-3-ACETAMIDE · 2-(1H-INDOL-3-YL)ACETAMIDE · 1H-Indole-3-acetamide · INDOLEACETAMIDE · NSC 1969 · BRN0873543 · 3-Indoleace · BRN 0873543
Identifikatoren & physikalische Daten
| CAS No. | 879-37-8 |
|---|---|
| Summenformel | C10H10N2O |
| Durchschnittliche Molmasse | 174,2 g/mol |
| Monoisotopische Masse | 174,07931294 g/mol |
| SMILES | NC(=O)Cc1c[nH]c2ccccc12 |
| InChIKey | ZOAMBXDOGPRZLP-UHFFFAOYSA-N |
| PubChem CID | 397 |
| ChEBI | CHEBI:16031 |
| EC No. | 212-904-4 |
| DTXSID | DTXSID60236686 |
| Lokaler Name | 1H-Indol-3-acetamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 150 - 151 °C148-150 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 135.5 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]136.2 Ų [M+H]+ |
| Siedepunkt | 469.7±28.0 °C(Predicted) |
| Dichte | 1.285±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 16.37±0.40(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) |
| InChIKey | ZOAMBXDOGPRZLP-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CC(N)=O)=C1 |
| CAS Datenbank | 879-37-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Indoleacetamide(879-37-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.Not ClassifiedAggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Indole-3-acetamide was used in the synthesis of [5.5.6.6]diazafenestrane skeleton and indole-3-acetic acid.Reactant for the synthesis of:PET agent for imaging of protein kinase CA potential agent against Prion DiseaseProtein kinase C (PKC) inhibitor bisindolylmaleimide IVGlycogen synthase kinase-3 (GSK-3) inhibitorsInhibitors of CaMKIIdA VEGF inhibitorJAK3 inhibitorsInhibitors of NAD+-Dependent Histone DeacetylasesInhibitors of human adipocyte fatty acid-binding proteinCyclin-dependent kinase inhibitors