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3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
3-(3-methylpent-3-yl)isoxazol-5-ylamine · 3-(3-Methylpentan-3-yl)-1,2-oxazol-5-amine · 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
Identifikatoren & physikalische Daten
| CAS No. | 82560-06-3 |
|---|---|
| Summenformel | C9H16N2O |
| Durchschnittliche Molmasse | 168,24 g/mol |
| Monoisotopische Masse | 168,12626313 g/mol |
| SMILES | CCC(C)(CC)c1cc(N)on1 |
| InChIKey | DFDAEJDUOXMUQR-UHFFFAOYSA-N |
| PubChem CID | 92402 |
| EC No. | 401-460-9 |
| DTXSID | DTXSID5073664 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 145 |
| Aggregatzustand | Solid:crystalline |
| EPA chemische Informationen | 5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)- (82560-06-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P354+P338, P316, P317, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9348 |
| Hazard Classes and Categories | Acute Tox. 3 (50%)Acute toxicity - category 3Acute Tox. 3 * |
| R-Sätze (R) | 23/25-41-52/53 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 22-26-36/37/39-45-61 |