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HCID 4459751Erstellt: 4. November 2026
3-Methyl-1-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
3-METHYL-1-{4-[(2-METHYL-1-NAPHTHYL)METHYL]-1-PIPERAZINYL}-2-OCTYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE · Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-[4-[(2-methyl-1-naphthalenyl)methyl]-1-piperazinyl]-2-octyl- · 3-methyl-1-(4-((2-methylnaphthalen-1-yl)methyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
https://huagongshe.com/de/chemical/4459751
Identifikatoren & physikalische Daten
| CAS No. | 500149-25-7 |
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| Summenformel | C37H43N5 |
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| Durchschnittliche Molmasse | 557,8 g/mol |
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| Monoisotopische Masse | 557,35184639 g/mol |
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| SMILES | CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2c(C)ccc3ccccc23)CC1 |
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| InChIKey | KMUVMUGDCAXFHX-UHFFFAOYSA-N |
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| PubChem CID | 4459751 |
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| EC No. | 147-312-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 10,7 |
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| Polarare Oberfläche (TPSA) | 47,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 10 |
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| Schwere Atome | 42 |
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| Formalladung | 0 |
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| Komplexität | 890 |
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| Dichte | 1.14±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 7.65±0.50(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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![Molekülstruktur von 3-Methyl-1-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile](/img/chemical/4459751.png)