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HCID 613997Erstellt: 3. November 2026
1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile
1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile · 3-Methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile · 1,5-Dihydro-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile · Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1,5-dihydro-3-methyl-1-oxo- · 11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaene-10-carbonitrile
https://huagongshe.com/de/chemical/613997
Identifikatoren & physikalische Daten
| CAS No. | 34940-35-7 |
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| Summenformel | C13H9N3O |
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| Durchschnittliche Molmasse | 223,23 g/mol |
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| Monoisotopische Masse | 223,07456192 g/mol |
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| SMILES | Cc1cc(=O)n2c([nH]c3ccccc32)c1C#N |
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| InChIKey | ODPPIAGQLCIUJF-UHFFFAOYSA-N |
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| PubChem CID | 613997 |
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| EC No. | 808-691-8 |
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| DTXSID | DTXSID10346688 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 56,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 494 |
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| Aggregatzustand | solid |
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| InChI | 1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-6,15H,1H3 |
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| InChIKey | ODPPIAGQLCIUJF-UHFFFAOYSA-N |
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| SMILES | N#CC(C(C)=C1)=C(NC2=C3C=CC=C2)N3C1=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
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| Hazard Classes and Categories | Acute Tox. 3 (100%)Eye Irrit. 2A (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2 |
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