HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,5-dimethyl-1H-pyrazol-4-amine
4-AMino-1,5-diMethylpyrazole · 1,5-Dimethyl-1H-pyrazole-4-amine · 4-AMino-1,5-diMethyl-1H-pyrazole · 1,5-dimethyl-1H-pyridineazole-4-amine · 1,5-Dimethylpyrazol-4-amine - [D94614] · 1,5-diMethyl-1H-pyrazol-4-aMine dihydrochloride · 1,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: 2HCl)
Identifikatoren & physikalische Daten
| CAS No. | 121983-36-6 |
|---|---|
| Summenformel | C5H9N3 |
| Durchschnittliche Molmasse | 111,15 g/mol |
| Monoisotopische Masse | 111,07964729 g/mol |
| SMILES | Cc1c(N)cnn1C |
| InChIKey | JKSYHPUINDBWRF-UHFFFAOYSA-N |
| PubChem CID | 573813 |
| EC No. | 819-325-1 |
| DTXSID | DTXSID60341542 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 83,7 |
| Siedepunkt | 231.5±20.0 °C(Predicted) |
| Dichte | 1.17±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 4.28±0.10(Predicted) |
| InChI | InChI=1S/C5H9N3/c1-4-5(6)3-7-8(4)2/h3H,6H2,1-2H3 |
| InChIKey | JKSYHPUINDBWRF-UHFFFAOYSA-N |
| SMILES | N1(C)C(C)=C(N)C=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
1,5-Dimethyl-1H-pyrazole-4-amine is used in the preparation of pyridine compounds as focal adhesion kinase inhibitors.