HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2-Methoxyphenyl)piperazin
2-MPP · D 15157 · AKOS BBS-00003584 · Uradil impurity 18 · Urapidil Impurity 6 · TIMTEC-BB SBB003620 · RARECHEM AH CK 0126 · 2-Piperazinoanisole
Identifikatoren & physikalische Daten
| CAS No. | 35386-24-4 |
|---|---|
| Summenformel | C11H16N2O |
| Durchschnittliche Molmasse | 192,26 g/mol |
| Monoisotopische Masse | 192,12626313 g/mol |
| SMILES | COc1ccccc1N1CCNCC1 |
| InChIKey | VNZLQLYBRIOLFZ-UHFFFAOYSA-N |
| PubChem CID | 1346 |
| ChEMBL | CHEMBL9666 |
| ChEBI | CHEBI:104020 |
| EC No. | 252-537-7 |
| DTXSID | DTXSID40188871 |
| Lokaler Name | 1-(2-Methoxyphenyl)piperazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 24,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 169 |
| Arzneimittel | DEA NFLIS-Drug Category -> Piperazines (Stimulant) |
| LogP (Verteilungskoeffizient) | 1.09 |
| Collision Cross Section | 140.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 35-40 °C (lit.) |
| Siedepunkt | 130-133 °C/0.1 mmHg (lit.) |
| Dichte | 1.095 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.575(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)Soluble in chloroform, ethyl acetate, and methanol. Insoluble in water |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | 8.98±0.10(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 167888 |
| InChI | InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 |
| InChIKey | VNZLQLYBRIOLFZ-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=CC=C2OC)CCNCC1 |
| LogP (Verteilungskoeffizient) | 1.67 |
| CAS Datenbank | 35386-24-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 12.3% (7 of 57) of reports.DangerH314 (84.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 9 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20083 |
| Hazard Classes and Categories | Skin Corr. 1B (84.2%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3263 8/PG 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A-36 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-(2-Methoxyphenyl)piperazine can be used:To functionalize pyrazolylvinyl ketones via Aza-Michael addition reaction.To prepare cyclic amine substituted Trger′s base derivatives.To prepare functionalized bis(mercaptoimidazolyl)borates by reacting with the activated ester, [(1-methyl-2-mercaptoimidazol-5-yl)carbonyl]succinimide.