HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5779990Erstellt: 4. November 2026
7-benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
https://huagongshe.com/de/chemical/5779990
Identifikatoren & physikalische Daten
| CAS No. | 374616-00-9 |
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| Summenformel | C22H22N6O3 |
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| Durchschnittliche Molmasse | 418,4 g/mol |
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| Monoisotopische Masse | 418,17533859 g/mol |
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| SMILES | COc1ccc(/C=N\Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 |
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| InChIKey | CDWNIZAKPKFQGO-QRVIBDJDSA-N |
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| PubChem CID | 5779990 |
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| EC No. | 120-355-6 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 92,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 31 |
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| Formalladung | 0 |
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| Komplexität | 674 |
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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 7-benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione](/img/chemical/5779990.png)