HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3539Erstellt: 24. Oktober 2026
Gyki 52895
GYKI 52895 · 4-(8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline · 1-(4-Aminophenyl)-4-methyl-7,8-methylenedioxy-3.4-dihydro-5H-2,3-benzodiazepine · Benzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)-
https://huagongshe.com/de/chemical/3539
Identifikatoren & physikalische Daten
| CAS No. | 114460-08-1 |
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| Summenformel | C17H17N3O2 |
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| Durchschnittliche Molmasse | 295,34 g/mol |
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| Monoisotopische Masse | 295,13207679 g/mol |
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| SMILES | CC1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3 |
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| InChIKey | AQTITSBNGSVQNZ-UHFFFAOYSA-N |
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| PubChem CID | 3539 |
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| ChEMBL | CHEMBL1256984 |
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| ChEBI | CHEBI:79613 |
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| EC No. | 113-927-1 |
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| DTXSID | DTXSID80921385 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 68,9 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 434 |
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| Löslichkeit | ethanol: soluble |
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| Aggregatzustand | solid |
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| Farbe | white |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 22-26-36 |
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