Identifikatoren & physikalische Daten
| CAS No. | 78613-38-4 |
|---|
| Summenformel | C21H36ClNO |
|---|
| Durchschnittliche Molmasse | 354 g/mol |
|---|
| Monoisotopische Masse | 353,24854245 g/mol |
|---|
| SMILES | CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl |
|---|
| InChIKey | XZKWIPVTHGWDCF-KUZYQSSXSA-N |
|---|
| PubChem CID | 54259 |
|---|
| ChEMBL | CHEMBL4303363 |
|---|
| ChEBI | CHEBI:59649 |
|---|
| EC No. | 689-236-9 |
|---|
| DTXSID | DTXSID80229217 |
|---|
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 12,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 6 |
|---|
| Schwere Atome | 24 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 336 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
