HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(3-Chlorpropyl)-4-methylpiperazin
1-(3-Chloropropyl)-4-methylpiperazine · n-methylpiperazinopropyl chloride · 1-(3-chloropropyl)-4-methyl-piperazin · 1-Methyl-4-(3-chloropropyl)piperazine · 3-(4-Methylpiperazino)propyl chloride · N-(3-Chloropropyl)-N'-methylpiperazine · 1-(3-Chloroprop-1-yl)-4-methylpiperazine · Piperazine, 1-(3-chloropropyl)-4-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 104-16-5 |
|---|---|
| Summenformel | C8H17ClN2 |
| Durchschnittliche Molmasse | 176,69 g/mol |
| Monoisotopische Masse | 176,10802622 g/mol |
| SMILES | CN1CCN(CCCCl)CC1 |
| InChIKey | AUERUDPETOKUPT-UHFFFAOYSA-N |
| PubChem CID | 66906 |
| EC No. | 203-181-6 |
| DTXSID | DTXSID90146204 |
| Lokaler Name | 1-(3-Chlorpropyl)-4-methylpiperazin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 6,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 100 |
| Schmelzpunkt | 128-130 °C(Solv: acetone (67-64-1)) |
| Siedepunkt | 243 ºC |
| Dichte | 1.015 |
| Brechungsindex | 1.476 |
| Flammpunkt | 101 ºC |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| pKa (Säurekonstante) | 7+-.0.10(Predicted) |
| InChI | InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3 |
| InChIKey | AUERUDPETOKUPT-UHFFFAOYSA-N |
| SMILES | N1(CCCCl)CCN(C)CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23577 |
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| Zollcode | 2933599590 |
Anwendungen & Verwendung
Verwenden
1-Methyl-4-(3-chloropropyl)piperazine can be used in the preparation of many pharmaceutically active compounds such as antiulcer agents, antitumor agents, antibiotics and anxiolytics.