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HCID 753549Erstellt: 3. November 2026
1-(3-Chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
1-(3-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile · 1-(3-CL-PHENYLAMINO)-3-METHYL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILE · Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(3-chlorophenyl)amino]-3-methyl-
https://huagongshe.com/de/chemical/753549
Identifikatoren & physikalische Daten
| CAS No. | 305333-77-1 |
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| Summenformel | C19H13ClN4 |
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| Durchschnittliche Molmasse | 332,8 g/mol |
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| Monoisotopische Masse | 332,0828741 g/mol |
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| SMILES | Cc1cc(Nc2cccc(Cl)c2)n2c(nc3ccccc32)c1C#N |
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| InChIKey | JIEHRLHVTUUATG-UHFFFAOYSA-N |
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| PubChem CID | 753549 |
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| EC No. | 164-088-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,8 |
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| Polarare Oberfläche (TPSA) | 53,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 503 |
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| Dichte | 1.33±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.79±0.50(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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![Molekülstruktur von 1-(3-Chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile](/img/chemical/753549.png)