Identifikatoren & physikalische Daten
| CAS No. | 219307-74-1 |
|---|
| Summenformel | C13H17NOSe |
|---|
| Durchschnittliche Molmasse | 282,25 g/mol |
|---|
| Monoisotopische Masse | 283,04753546 g/mol |
|---|
| SMILES | CCC1(O)CC[Se]C(c2ccc(C)cc2)=N1 |
|---|
| InChIKey | SPHPVCBZNTZISK-UHFFFAOYSA-N |
|---|
| PubChem CID | 9903869 |
|---|
| EC No. | 118-531-2 |
|---|
| DTXSID | DTXSID70432637 |
|---|
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 32,6 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 271 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H331 (100%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P332+P317, P362+P364, P391, 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. 3 (100%) |
|---|
