Identifikatoren & physikalische Daten
| CAS No. | 1500008-67-2 |
|---|
| Summenformel | C11H19N3O |
|---|
| Durchschnittliche Molmasse | 209,29 g/mol |
|---|
| Monoisotopische Masse | 209,15281224 g/mol |
|---|
| SMILES | CN(C)CCCOc1cnccc1CN |
|---|
| InChIKey | UTVASXIULPHJHS-UHFFFAOYSA-N |
|---|
| PubChem CID | 81755152 |
|---|
| ChEMBL | CHEMBL4517231 |
|---|
| EC No. | 882-466-2 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|
| Polarare Oberfläche (TPSA) | 51,4 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 6 |
|---|
| Schwere Atome | 15 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 164 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|