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3-3-Diphenylpropylamin
3,3-diphenylpropylammonium · IEM 2011 · NSC 137832 · TIMTEC-BB SBB000517 · RARECHEM AL BW 0746 · DiphenylpropylaMine · LABOTEST-BB LT00053092 · 3-diphenylpropyl amine
Identifikatoren & physikalische Daten
| CAS No. | 5586-73-2 |
|---|---|
| Summenformel | C15H17N |
| Durchschnittliche Molmasse | 211,3 g/mol |
| Monoisotopische Masse | 211,13609954 g/mol |
| SMILES | NCCC(c1ccccc1)c1ccccc1 |
| InChIKey | KISZTEOELCMZPY-UHFFFAOYSA-N |
| PubChem CID | 79698 |
| ChEMBL | CHEMBL609579 |
| EC No. | 226-984-3 |
| DTXSID | DTXSID30204458 |
| Lokaler Name | 3-3-Diphenylpropylamin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 160 |
| Schmelzpunkt | 29-31 °C (lit.) |
| Siedepunkt | 166°C 2mm |
| Dichte | 1.0382 (rough estimate) |
| Brechungsindex | n20/D 1.583(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Room Temperature, Under Inert Atmosphere |
| Löslichkeit | DMSO (Slghtly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 9.91±0.13(Predicted) |
| Farbe | Yellow to Light Brown |
| BRN | 1958595 |
| InChI | 1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2 |
| InChIKey | KISZTEOELCMZPY-UHFFFAOYSA-N |
| SMILES | NCCC(c1ccccc1)c2ccccc2 |
| CAS Datenbank | 5586-73-2(CAS DataBase Reference) |
| NIST chemische Informationen | 3,3-Diphenylpropylamine(5586-73-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.WarningH315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7422 |
| Hazard Classes and Categories | Skin Irrit. 2 (95.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3,3-Diphenylpropylamine is a metabolite of Prenylamine (P712800). 3,3-Diphenylpropylamine showed antiextensor effects as well as neuroexcitatory effects and antagonized barbital-induced loss of the righting reflex.