Identifikatoren & physikalische Daten
| CAS No. | 5398-58-3 |
|---|
| Summenformel | C8H13N |
|---|
| Durchschnittliche Molmasse | 123,2 g/mol |
|---|
| Monoisotopische Masse | 123,10479942 g/mol |
|---|
| SMILES | CC(C)(C)c1ccc[nH]1 |
|---|
| InChIKey | AJPCQTXGHLEGAY-UHFFFAOYSA-N |
|---|
| PubChem CID | 220945 |
|---|
| EC No. | 182-538-7 |
|---|
| DTXSID | DTXSID20968794 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|
| Polarare Oberfläche (TPSA) | 15,8 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 0 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 91,2 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 | Skin Irrit. 2 (100%) |
|---|
