HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(3-Chlorophenyl)-2-methylpropan-1-amine
Benzeneethanamine, 3-chloro-β,β-dimethyl- · 2-(3-chlorophenyl)-2-methylpropan-1-amine
Identifikatoren & physikalische Daten
| CAS No. | 92015-24-2 |
|---|---|
| Summenformel | C10H14ClN |
| Durchschnittliche Molmasse | 183,68 g/mol |
| Monoisotopische Masse | 183,0814771 g/mol |
| SMILES | CC(C)(CN)c1cccc(Cl)c1 |
| InChIKey | YOMVZWQZGFLTFA-UHFFFAOYSA-N |
| PubChem CID | 24252544 |
| EC No. | 809-576-5 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 145 |
| Siedepunkt | 245.1±15.0 °C(Predicted) |
| Dichte | 1.069±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.74±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| InChI | 1S/C10H14ClN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3 |
| InChIKey | YOMVZWQZGFLTFA-UHFFFAOYSA-N |
| SMILES | ClC1=CC(C(C)(C)CN)=CC=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2921490090 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
2-(3-Chlorophenyl)-2-methylpropan-1-amine was used for the preparation of pyrimidinediones as antagonists of L-type calcium channels (LTCC) for potential use in the treatment of Parkinson’s disease.