HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Methylphenethylamin
2-(P-TOLYL)ETHYLAMINE · 2-(p-Tolyl)ethanaMine · 2-(4-Methylphenyl)ethan-1-aMine · RARECHEM AL BW 0059 · 4-Methylphethylamine · 4-METHYLPHENETHYLAMIN · 4-METHYLPHENETHYLAMINE · P-METHYLPHENETHYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 3261-62-9 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | Cc1ccc(CCN)cc1 |
| InChIKey | VKJXAQYPOTYDLO-UHFFFAOYSA-N |
| PubChem CID | 76751 |
| ChEMBL | CHEMBL103299 |
| EC No. | 221-865-2 |
| DTXSID | DTXSID70186305 |
| Lokaler Name | p-Methylphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 82,7 |
| Pestizide | Fungicides |
| Schmelzpunkt | 116°C (estimate) |
| Siedepunkt | 214 °C(lit.) |
| Dichte | 0.93 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.527(lit.) |
| Flammpunkt | 195 °F |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| pKa (Säurekonstante) | 10.02±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Wichte | 0.930 |
| InChI | InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | VKJXAQYPOTYDLO-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(C)C=C1 |
| CAS Datenbank | 3261-62-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-(p-Tolyl)ethylamine(3261-62-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (93.3%): 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (93.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2922 8/6.1/PG II |
| Zollcode | 29215900 |
| RTECS-Nr. | DA0306700 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Gefahrenklasse | CORROSIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-(p-Tolyl)ethylamine was used to prepare secondary amides by amidation of sophorolipid ethyl ester.