HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2735331Erstellt: 25. Oktober 2026
2-(4-Benzylpiperazin-1-yl)ethan-1-amine
AKOS BB-6126 · Compound Fr13326 · BUTTPARK 27\04-78 · 4-Benzyl-1-piperazineethanamine · 1-(AMINOEHTYL)-4-BENZYLPIPERAZINE · 1-(2-Aminoethyl)-4-benzyl-piperaz · -(2-AMINOETHYL)-4-BENZYLPIPERAZINE · 2-(4-BENZYLPIPERAZINO)ETHAN-1-AMINE
https://huagongshe.com/de/chemical/2735331
Identifikatoren & physikalische Daten
| CAS No. | 4553-21-3 |
|---|
| Summenformel | C13H21N3 |
|---|
| Durchschnittliche Molmasse | 219,33 g/mol |
|---|
| Monoisotopische Masse | 219,17354767 g/mol |
|---|
| SMILES | NCCN1CCN(Cc2ccccc2)CC1 |
|---|
| InChIKey | CXEJMFLWEVKOGS-UHFFFAOYSA-N |
|---|
| PubChem CID | 2735331 |
|---|
| EC No. | 670-338-7 |
|---|
| DTXSID | DTXSID90370683 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|
| Polarare Oberfläche (TPSA) | 32,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 182 |
|---|
| Schmelzpunkt | 247℃ |
|---|
| Siedepunkt | 118 °C |
|---|
| Dichte | 1.053±0.06 g/cm3 (20 ºC 760 Torr) |
|---|
| pKa (Säurekonstante) | 10.11±0.10(Predicted) |
|---|
| CAS Datenbank | 4553-21-3(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): 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 6 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 (16.7%) |
|---|
| UN-Transportnummer | UN2735 |
|---|
| Zollcode | 29339900 |
|---|
| R-Sätze (R) | 36/37/38-20/21/22 |
|---|
| Gefahrensymbole | Xi |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 26-36/37/39-37-24/25-23 |
|---|
| Gefahrenklasse | 8 |
|---|
