HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-methyl-1H-1,3-benzodiazol-5-amine
1-methyl-1H-benzimidazol-5-amine · NSC 240760 · 1-Methylbenzimidazol-5-amine · 1-Methyl-5-aminobenzimidazole · 1-Methylbenzoimidazol-5-amine · 5-Amino-1-methylbenzimidazole · 1-methylbenzimidazole-5-amine · 5-Amino-1-methyl-1H-benzimidazole
Identifikatoren & physikalische Daten
| CAS No. | 10394-38-4 |
|---|---|
| Summenformel | C8H9N3 |
| Durchschnittliche Molmasse | 147,18 g/mol |
| Monoisotopische Masse | 147,07964729 g/mol |
| SMILES | Cn1cnc2cc(N)ccc21 |
| InChIKey | IWBGBYZGEQUDBT-UHFFFAOYSA-N |
| PubChem CID | 315499 |
| EC No. | 810-428-7 |
| DTXSID | DTXSID20311266 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 148 |
| Schmelzpunkt | 158-159 °C |
| Siedepunkt | 348.6±34.0 °C(Predicted) |
| Dichte | 1.27±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.35±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (25%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Zollcode | 2933998090 |
| R-Sätze (R) | 41 |
| Sicherheitshinweise (S) | 26-39 |
Anwendungen & Verwendung
Verwenden
1-Methyl-5-aminobenzimidazole is used in the synthesis of usnic acid derivatives as tau-aggregation and neuroinflammation inhibitor.