HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 4-amino-3-methylbenzoate
METHYL 3-METHYL-4-AMINOBENZOATE · AKOS BB-3094 · benzenecarboxyL · 4-Amino-3-methyl · BUTTPARK 37\12-51 · Methyl 4-amino-3-met · Methyl 4-Amino-m-toluate · methyl-4-amino-3-methylbenzate
Identifikatoren & physikalische Daten
| CAS No. | 18595-14-7 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | COC(=O)c1ccc(N)c(C)c1 |
| InChIKey | ZHIPSMIKSRYZFV-UHFFFAOYSA-N |
| PubChem CID | 2736799 |
| EC No. | 606-066-2 |
| DTXSID | DTXSID70371613 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 170 |
| Schmelzpunkt | 116 °C |
| Siedepunkt | 314.8±22.0 °C(Predicted) |
| Dichte | 1.132±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.32±0.10(Predicted) |
| Farbe | Light Beige |
| CAS Datenbank | 18595-14-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Zollcode | 2922498590 |
| R-Sätze (R) | 36/37/38-37/38-36-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Methyl 4-Amino-3-methylbenzoate is used in the synthesis of neuroprotective hydrazides used in the treatment of Alzheimer’s. It is also used in the research and development of diphenylamine-based retinoids.