HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Methylbenzolethanamin
N-Methylphenylethylamine · N-Methyl-2-phenylethanamine · N-METHYL-2-PHENYLETHYLAMINE · Benzeneethanamine, N-methyl- · WIN 5553 · JACS-589-08-2 · Phenethylmethylamine · n-methyl-phenethylamin
Identifikatoren & physikalische Daten
| CAS No. | 589-08-2 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CNCCc1ccccc1 |
| InChIKey | SASNBVQSOZSTPD-UHFFFAOYSA-N |
| PubChem CID | 11503 |
| ChEMBL | CHEMBL45763 |
| EC No. | 209-632-3 |
| DTXSID | DTXSID10207629 |
| Lokaler Name | N-Methylbenzolethanamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 74,8 |
| Arzneimittel | DEA NFLIS-Drug Category -> Phenethylamines |
| LogP (Verteilungskoeffizient) | 1.68 |
| Löslichkeit | <0.3 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Sparingly), Methanol (Slightly) |
| Schmelzpunkt | 116°C (estimate) |
| Siedepunkt | 203 °C(lit.) |
| Dichte | 0.93 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.516(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| pKa (Säurekonstante) | pKa 10.31(H2O,t undefined,I undefined) (Uncertain) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Wichte | 0.930 |
| BRN | 636347 |
| InChI | 1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | SASNBVQSOZSTPD-UHFFFAOYSA-N |
| SMILES | CNCCc1ccccc1 |
| CAS Datenbank | 589-08-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214900 |
| RTECS-Nr. | SH9625000 |
| R-Sätze (R) | 34-42/43-52/53-41-22 |
| Gefahrensymbole | C,Xn |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-39 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
N-Methyl-phenethylamine can be used as a reactant: To synthesize N-methyl-phenethylamine based tertiary amines by reacting with different alkyl halides in the presence of triphenylphosphine (TPP) and diisopropylazocarboxylate (DIAD) via N-alkylation reaction. To fabricate photochemically stable, super-sensitive, and highly selective fluorescent film for the detection of N-methamphetamine (an illicit drug). To prepare biologically active squaric acid N-hydroxylamide amide derivatives.