HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11564613Erstellt: 26. Oktober 2026
3-(4-Methylpiperazin-1-yl)aniline
AKOS BB-8951 · 3-(4-Methylpiperazine) aniline · 3-(4-Methypiperazin-1-yl)anilin · 3-(4-METHYLPIPERAZIN-1-YL)ANILINE · 3-(4-Methyl-1-piperazinyl)aniline · 3-(4-methylazine-1-yl)benzeneamine · 1-(3-Aminophenyl)-4-methylpiperazine · 3-(4-Methyl-1-piperazinyl)aniline >3-(4-Methylpiperazin-1-yl)aniline 97%
https://huagongshe.com/de/chemical/11564613
Identifikatoren & physikalische Daten
| CAS No. | 148546-99-0 |
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| Summenformel | C11H17N3 |
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| Durchschnittliche Molmasse | 191,27 g/mol |
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| Monoisotopische Masse | 191,14224754 g/mol |
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| SMILES | CN1CCN(c2cccc(N)c2)CC1 |
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| InChIKey | RJGHJWKQCJAJEP-UHFFFAOYSA-N |
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| PubChem CID | 11564613 |
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| ChEMBL | CHEMBL129399 |
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| EC No. | 689-016-2 |
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| DTXSID | DTXSID90468655 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 32,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 175 |
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| Schmelzpunkt | 98-99 |
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| Siedepunkt | 353.1±37.0 °C(Predicted) |
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| Dichte | 1.092±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 7.88±0.42(Predicted) |
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| Farbe | White to Yellow to Orange |
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| InChI | InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3 |
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| InChIKey | RJGHJWKQCJAJEP-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC=CC(N2CCN(C)CC2)=C1 |
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| CAS Datenbank | 148546-99-0 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | 2923 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 20/21/22-34 |
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| Gefahrensymbole | C |
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| hazard_note | Corrosive |
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| Sicherheitshinweise (S) | 22-26-36/37/39-45 |
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| Gefahrenklasse | 8 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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