HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(2-(Pyrrolidin-1-yl)ethoxy)aniline
)ethoxy]aniL · 4-[2-(1-PyrroL · 4-(2-(Pyrrolidin-1-yl) · 4-(2-Pyrrolidinoethoxy)aniline · 4-(2-(PYRROLIDIN-1-YL)ETHOXY)ANILINE · 4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYLAMINE · BenzenaMine, 4-[2-(1-pyrrolidinyl)ethoxy]-
Identifikatoren & physikalische Daten
| CAS No. | 50609-01-3 |
|---|---|
| Summenformel | C12H18N2O |
| Durchschnittliche Molmasse | 206,28 g/mol |
| Monoisotopische Masse | 206,1419132 g/mol |
| SMILES | Nc1ccc(OCCN2CCCC2)cc1 |
| InChIKey | OTYZNDKWNPQQJP-UHFFFAOYSA-N |
| PubChem CID | 6493749 |
| EC No. | 690-003-9 |
| DTXSID | DTXSID50424631 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 172 |
| Siedepunkt | 362.2±22.0 °C(Predicted) |
| Dichte | 1.097±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 9.76±0.20(Predicted) |
| InChI | InChI=1S/C12H18N2O/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2 |
| InChIKey | OTYZNDKWNPQQJP-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(OCCN2CCCC2)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, 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. 3 (33.3%) |
| Zollcode | 2921410090 |
| Gefahrenklasse | IRRITANT |