HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Cinnamylpiperazine
(E)-1-Cinnamylpiperazine · TIMTEC-BB SBB000411 · N-CINNAMYLPIPERAZINE · Flunarizine Impurity 9 · 1-(CINNAMYL)PIPERAZINE · LABOTEST-BB LT00233225 · trans-1-Ciamylpiperazine · TRANS-1-CINNAMYLPIPERAZINE
Identifikatoren & physikalische Daten
| CAS No. | 18903-01-0 |
|---|---|
| Summenformel | C13H18N2 |
| Durchschnittliche Molmasse | 202,3 g/mol |
| Monoisotopische Masse | 202,14699858 g/mol |
| SMILES | C(=C\c1ccccc1)/CN1CCNCC1 |
| InChIKey | WGEIOMTZIIOUMA-QPJJXVBHSA-N |
| PubChem CID | 726896 |
| ChEMBL | CHEMBL503140 |
| EC No. | 242-652-0 |
| DTXSID | DTXSID501035300 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 189 |
| Schmelzpunkt | 39-44 °C(lit.) |
| Siedepunkt | 129 °C1 mm Hg(lit.) |
| Dichte | 0.989 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.574-1.576 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.17±0.10(Predicted) |
| Farbe | Pale Yellow |
| BRN | 608984 |
| InChI | InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+ |
| InChIKey | WGEIOMTZIIOUMA-QPJJXVBHSA-N |
| SMILES | N1(C/C=C/C2=CC=CC=C2)CCNCC1 |
| CAS Datenbank | 87179-40-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
Anwendungen & Verwendung
Beschreibung
trans-1-Cinnamylpiperazine is a piperazine derivative. It was used as a test compound to investigate the in vitro efficacy as an antiprotozoal against Philasterides dicentrarchi. It may be used to synthesize Incentrom A derivatives.
Verwenden
trans-1-Cinnamylpiperazine is used in the synthesis of bile acid piperazinyl derivatives which display pro-apoptotic properties on carcinoma human cell lines.