HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Cyclopentylpiperazine
BUTTPARK 82\06-05 · TIMTEC-BB SBB004031 · RARECHEM AH CK 0078 · cyclopentylpiperazine · Piperazine Impurity 6 · 1-CYCLOPENTYLPIPERAZINE · N-CYCLOPENTYLPIPERAZINE · 1-Cyanopentylpiperazine
Identifikatoren & physikalische Daten
| CAS No. | 21043-40-3 |
|---|---|
| Summenformel | C9H18N2 |
| Durchschnittliche Molmasse | 154,25 g/mol |
| Monoisotopische Masse | 154,14699858 g/mol |
| SMILES | C1CCC(N2CCNCC2)C1 |
| InChIKey | PVMCQBPJKPMOKM-UHFFFAOYSA-N |
| PubChem CID | 806421 |
| EC No. | 671-072-4 |
| DTXSID | DTXSID80355565 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 113 |
| Siedepunkt | 48 °C |
| Dichte | 0.989±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5000 to 1.5040 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Sparingly) |
| Aggregatzustand | Oil to Gel |
| pKa (Säurekonstante) | 9.28±0.10(Predicted) |
| Farbe | Colourless to Pale Yellow |
| InChI | InChI=1S/C9H18N2/c1-2-4-9(3-1)11-7-5-10-6-8-11/h9-10H,1-8H2 |
| InChIKey | PVMCQBPJKPMOKM-UHFFFAOYSA-N |
| SMILES | N1(C2CCCC2)CCNCC1 |
| CAS Datenbank | 21043-40-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Zollcode | 2933599590 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
1-Cyclopentylpiperazine is used in the synthesis of quinolines as a new class of imidazole-free H3 receptor antagonists. Also used to prepare a series of estrogen receptor modulators.