HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-2-methylindole
2-METHYL-1H-INDOL-5-AMINE · 5-Amino-2-methylindole · 2-Methylindol-5-ylamine · 5-AMINO-2-METHYLINDOL 97% · 5-Amino-2-methylindole,98% · 5-Amino-2-methylindole,95% · 5-Amino-2-methylindole 95% · 5-Amino-2-methylindole >5-AMino-2-Methyl-1H-indole
Identifikatoren & physikalische Daten
| CAS No. | 7570-49-2 |
|---|---|
| Summenformel | C9H10N2 |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,08439832 g/mol |
| SMILES | Cc1cc2cc(N)ccc2[nH]1 |
| InChIKey | JQULCCZIXYRBSE-UHFFFAOYSA-N |
| PubChem CID | 2733992 |
| ChEMBL | CHEMBL3358228 |
| EC No. | 626-158-6 |
| DTXSID | DTXSID40370072 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 146 |
| Schmelzpunkt | 153-157 °C(lit.) |
| Siedepunkt | 255.81°C (rough estimate) |
| Dichte | 1.0976 (rough estimate) |
| Brechungsindex | 1.5600 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 17.97±0.30(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | Red to Dark blue to Black |
| InChI | 1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3 |
| InChIKey | JQULCCZIXYRBSE-UHFFFAOYSA-N |
| SMILES | Cc1cc2cc(N)ccc2[nH]1 |
| CAS Datenbank | 7570-49-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (91.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful/Stench |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of:• ;Cytotoxic and antimitotic agents1• ;Potential antimicrobial aminoketones2• ;Inhibitors of monoamine oxidase (MAO)3• ;Protein kinase c theta (PKCθ) inhibitors4• ;Factor Xa inhibitors5• ;Inhibitors of vascular endothelial growth factor type 2 (VEGFR-2)6• ;Demethylasterriquinone B1receptor ligands7