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2-Methyl-1H-indol-3-ethylamin
2-(2-METHYL-1H-INDOL-3-YL)ETHANAMINE · AKOS B006949 · 2-Methyltryptamin · RARECHEM AN KA 1106 · ART-CHEM-BB B006949 · 2-METHYL TRYPTAMINE · 2-Methyltryptamine>2-Methylindole-3-ethylamine · 2-Methyltryptamine, ≥ 98.0%
Identifikatoren & physikalische Daten
| CAS No. | 2731-06-8 |
|---|---|
| Summenformel | C11H14N2 |
| Durchschnittliche Molmasse | 174,24 g/mol |
| Monoisotopische Masse | 174,11569845 g/mol |
| SMILES | Cc1[nH]c2ccccc2c1CCN |
| InChIKey | CPVSLHQIPGTMLH-UHFFFAOYSA-N |
| PubChem CID | 75949 |
| ChEMBL | CHEMBL2358910 |
| EC No. | 220-347-3 |
| DTXSID | DTXSID30181755 |
| Lokaler Name | 2-Methyl-1H-indol-3-ethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 106.0 to 110.0 °C |
| Siedepunkt | 177°C/1.5mmHg(lit.) |
| Dichte | 1.126±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 17.78±0.30(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Dark green |
| InChI | InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3 |
| InChIKey | CPVSLHQIPGTMLH-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CCN)=C1C |
| CAS Datenbank | 2731-06-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933.99.8290 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Key starting material in the synthesis of the histone deacetylase inhibitor LBH589.