HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methylbenzylamin
p-TolylMethanaMine · P-XYLYLAMINE · P-METHYLBENZYLAMINE · NSC 66562 · 4-Xylylamine · α-Amino-p-xylene · AKOS BBS-00003622 · 4-METHYBENZYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 104-84-7 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914936 g/mol |
| SMILES | Cc1ccc(CN)cc1 |
| InChIKey | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| PubChem CID | 66035 |
| ChEMBL | CHEMBL273483 |
| EC No. | 203-243-2 |
| DTXSID | DTXSID2059306 |
| Lokaler Name | 4-Methylbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72 |
| Schmelzpunkt | 12-13 °C(lit.) |
| Siedepunkt | 195 °C(lit.) |
| Dichte | 0.952 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.534(lit.) |
| Flammpunkt | 167 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.21±0.10(Predicted) |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | slightly soluble |
| BRN | 956670 |
| InChI | 1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3 |
| InChIKey | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| SMILES | Cc1ccc(CN)cc1 |
| CAS Datenbank | 104-84-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 4-methyl-(104-84-7) |
| EPA chemische Informationen | Benzenemethanamine, 4-methyl- (104-84-7) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214980 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants. 4-Methylbenzylamine has been shown to stimulate food consumption and cou nteract the hypophagic effects of amphetamine acting on brain Shaker-like Kv1.1 channels.