HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Acetyl-6-aminoindoline
NSC 87623 · 1-ACETYLINDOLIN-6-AMINE · 6-Amino-N-acetylindoline · 1-Acetyl-6-aminoindoline · 1-Acetyl-6-aminoindoline 95+% · 1-(6-Aminoindolin-1-yl)ethanone · 1-(6-amino-1-indolinyl)ethanone · 1-Acetyl-6-aminoindoline powder
Identifikatoren & physikalische Daten
| CAS No. | 62368-29-0 |
|---|---|
| Summenformel | C10H12N2O |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,094963 g/mol |
| SMILES | CC(=O)N1CCc2ccc(N)cc21 |
| InChIKey | LOZKZWIQDVEDCQ-UHFFFAOYSA-N |
| PubChem CID | 258564 |
| ChEMBL | CHEMBL1877102 |
| EC No. | 622-695-5 |
| DTXSID | DTXSID00293172 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 182 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| Farbe | yellow to tan |
| InChI | 1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3 |
| InChIKey | LOZKZWIQDVEDCQ-UHFFFAOYSA-N |
| SMILES | CC(=O)N1CCc2ccc(N)cc12 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of:Transient receptor potential cation channel V1 (TRPV1) antagonistsInhibitor of the human immunodeficiency virus (HIV) envelope glycoprotein gp120 binding to the cluster of differentiation 4 (CD4) receptorAntiproliferative agentsSerotonin 5-HT2C/2B receptor antagonists