HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cumylamine
CUMYLAMINE · Cumylamine ,98% · PHENYLISOPROPYLAMINE · a,a-Dimethylbenzylamine · AKOS BC-0985 · Cumylamine >2-Phenylisopropylamine · 2-Phenyl-2-propanamine · 2-phenyl-2-propylamine
Identifikatoren & physikalische Daten
| CAS No. | 585-32-0 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CC(C)(N)c1ccccc1 |
| InChIKey | KDFDOINBXBEOLZ-UHFFFAOYSA-N |
| PubChem CID | 68509 |
| EC No. | 670-821-2 |
| DTXSID | DTXSID20207216 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| Schmelzpunkt | 116°C (estimate) |
| Siedepunkt | 197°C |
| Dichte | 0.94 |
| Brechungsindex | 1.5200 |
| Flammpunkt | 197°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, MethanolInsoluble in water. |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 9.36±0.10(Predicted) |
| Farbe | Clear Colourless |
| Wichte | 0.94 |
| InChI | InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3 |
| InChIKey | KDFDOINBXBEOLZ-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(N)(C)C |
| CAS Datenbank | 585-32-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (81.2%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (81.2%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-52-25-34 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 OralAquatic Chronic 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Cumylamine is a reactant in the preparation of anti-malarial drugs. Also used in the preparation of HCV inhibitors.