HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethylpiperazin-1-carboxylat
ETHYL PIPERAZINE-1-CARBOXYLATE · 1-CARBETHOXYPIPERAZINE · N-CARBETHOXYPIPERAZINE · AKOS BC-0597 · RARECHEM AH CK 0098 · TIMTEC-BB SBB003993 · LABOTEST-BB LT00138086 · ethylcarbonylpiperazine
Identifikatoren & physikalische Daten
| CAS No. | 120-43-4 |
|---|---|
| Summenformel | C7H14N2O2 |
| Durchschnittliche Molmasse | 158,2 g/mol |
| Monoisotopische Masse | 158,10552769 g/mol |
| SMILES | CCOC(=O)N1CCNCC1 |
| InChIKey | LNOQURRKNJKKBU-UHFFFAOYSA-N |
| PubChem CID | 8431 |
| ChEMBL | CHEMBL213851 |
| EC No. | 204-395-2 |
| DTXSID | DTXSID7059511 |
| Lokaler Name | Ethylpiperazin-1-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| Dissociation Constants | 8.2 |
| Schmelzpunkt | 120 °C |
| Siedepunkt | 273 °C (lit.) |
| Dichte | 1.08 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.477(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Oily Liquid |
| pKa (Säurekonstante) | 8.50±0.10(Predicted) |
| Farbe | Clear light yellow |
| Löslichkeit | soluble |
| BRN | 125780 |
| InChI | 1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3 |
| InChIKey | LNOQURRKNJKKBU-UHFFFAOYSA-N |
| SMILES | CCOC(=O)N1CCNCC1 |
| CAS Datenbank | 120-43-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Piperazinecarboxylic acid, ethyl ester(120-43-4) |
| EPA chemische Informationen | 1-Piperazinecarboxylic acid, ethyl ester (120-43-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26347Piperazine ethylcarboxylate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (86.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29335995 |
| RTECS-Nr. | TL1378000 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,T |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 23-24/25-37/39-26-36 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Intermediate.