HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,5-Dimethylpiperazine, trans-
TECRL · trans-2 · SRD5A2L2 · NSC 3708 · trans-2,5-Dimethylpi · 5-DiMethylpiperazine · 2,5-Dimethylpiperazine · 3-enoyl-CoA reductase-like
Identifikatoren & physikalische Daten
| CAS No. | 2815-34-1 |
|---|---|
| Summenformel | C6H14N2 |
| Durchschnittliche Molmasse | 114,19 g/mol |
| Monoisotopische Masse | 114,11569845 g/mol |
| SMILES | C[C@@H]1CN[C@@H](C)CN1 |
| InChIKey | NSMWYRLQHIXVAP-OLQVQODUSA-N |
| PubChem CID | 220672 |
| EC No. | 629-352-9 |
| DTXSID | DTXSID90878851 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 24,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 62,9 |
| Schmelzpunkt | 115-118 °C (lit.) |
| Siedepunkt | 162-165 °C (lit.) |
| Dichte | 0.53 |
| Brechungsindex | 1.4628 (estimate) |
| Flammpunkt | 137 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | 50 g/100 mL (20°C)50 g/100 mL (20 ºC) |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 9.66(at 25℃) |
| Farbe | White to Orange to Green |
| Biologische Quelle | rabbit |
| BRN | 79886 |
| InChI | 1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+ |
| InChIKey | NSMWYRLQHIXVAP-OLQVQODUSA-N |
| SMILES | C[C@H]1CN[C@H](C)CN1 |
| CAS Datenbank | 2815-34-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (97.9%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 1 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2926 4.1/PG 2 |
| Zollcode | 29335990 |
| RTECS-Nr. | TL5950000 |
| R-Sätze (R) | 11-21-35-20/21/22-22-2017/11/21 |
| Gefahrensymbole | F,Xn,C |
| Sicherheitshinweise (S) | 16-27-36/37/39-7/9-45-33-26-36-7/8 |
| Gefahrenklasse | 4.1Acute Tox. 3 DermalFlam. Sol. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
trans-2,5-Dimethylpiperazine is a C-alkyl substituted piperazine used in the preparation of opioid receptor ligands as well as other biologically active compounds.