Identifikatoren & physikalische Daten
| CAS No. | 21436-97-5 |
|---|
| Summenformel | C9H14ClN |
|---|
| Durchschnittliche Molmasse | 171,67 g/mol |
|---|
| Monoisotopische Masse | 171,0814771 g/mol |
|---|
| SMILES | Cc1cc(C)c(N)cc1C.Cl |
|---|
| InChIKey | HPSNPQBFMPYUOD-UHFFFAOYSA-N |
|---|
| PubChem CID | 5284470 |
|---|
| DTXSID | DTXSID4021399 |
|---|
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 26 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 111 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement) |
|---|
| Regulatorische Informationen | Hazard Traits - Carcinogenicity |
|---|
| Hazard Classes and Categories | Carcinogenicity - category 1BAcute toxicity (Oral) - Category 4Carc. 1B |
|---|
