HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9899402Erstellt: 27. Oktober 2026
1-(2-Methoxyphenyl)piperaziniumchlorid
OMPP · TIMTEC-BB SBB003293 · Urapidil Impurity B · )piperazine hydrochL · LABOTEST-BB LT00159868 · Urapidil Impurity 6 HCl · Natalizumab (Anti-CD49d) · 1,3-dimethyl-17-nitrosourea
https://huagongshe.com/de/chemical/9899402
Identifikatoren & physikalische Daten
| CAS No. | 5464-78-8 |
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| Summenformel | C11H17ClN2O |
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| Durchschnittliche Molmasse | 228,72 g/mol |
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| Monoisotopische Masse | 228,10294084 g/mol |
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| SMILES | COc1ccccc1N1CCNCC1.Cl |
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| InChIKey | DDMVHGULHRJOEC-UHFFFAOYSA-N |
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| PubChem CID | 9899402 |
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| ChEMBL | CHEMBL1256365 |
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| EC No. | 226-762-6 |
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| DTXSID | DTXSID5051440 |
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| Lokaler Name | 1-(2-Methoxyphenyl)piperaziniumchlorid |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 24,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 169 |
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| Löslichkeit | 28.2 [ug/mL] (The mean of the results at pH 7.4)Soluble in DMSO and Methanol. |
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| Schmelzpunkt | 217-219 °C(lit.) |
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| Siedepunkt | 130-133C |
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| Dichte | 1.106g/cm |
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| Brechungsindex | 1,574-1,576 |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | A crystalline solid |
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| BRN | 4276925 |
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| InChI | InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 |
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| InChIKey | DDMVHGULHRJOEC-UHFFFAOYSA-N |
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| SMILES | N1(C2=CC=CC=C2OC)CCNCC1.[H]Cl |
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| CAS Datenbank | 5464-78-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.DangerH301 (40.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 67 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18848 |
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| Hazard Classes and Categories | Acute Tox. 3 (40.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN2811 |
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| Zollcode | 29335990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-28A |
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| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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