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HCID 87102Erstellt: 26. Oktober 2026
2,3-Dihydro-1,4-benzodioxin-6-methylamin
Compound Fr14522 · BUTTPARK 95\50-64 · RARECHEM AL BW 1744 · 3,4-ETHYLENEDIOXYBENZYLAMINE · 6-(Aminomethyl)-1,4-benzodioxane · 2,3-dihydro-1,4-benzodioxin-6-methylamine · 2,3-Dihydro-1,4-benzodioxin-6-methanamine · 2,3-Dihydro-1,4-benzodiacin-6-ylMethylaMine
https://huagongshe.com/de/chemical/87102
Identifikatoren & physikalische Daten
| CAS No. | 17413-10-4 |
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| Summenformel | C9H11NO2 |
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| Durchschnittliche Molmasse | 165,19 g/mol |
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| Monoisotopische Masse | 165,07897859 g/mol |
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| SMILES | NCc1ccc2c(c1)OCCO2 |
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| InChIKey | FUDYRLUSXBRPIA-UHFFFAOYSA-N |
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| PubChem CID | 87102 |
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| ChEMBL | CHEMBL4579007 |
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| EC No. | 241-440-5 |
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| DTXSID | DTXSID80169765 |
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| Lokaler Name | 2,3-Dihydro-1,4-benzodioxin-6-methylamin |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Siedepunkt | 109 °C |
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| Dichte | 1.194±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | liquid |
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| pKa (Säurekonstante) | 9.31±0.29(Predicted) |
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| Farbe | Yellow |
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| InChI | 1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2 |
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| InChIKey | FUDYRLUSXBRPIA-UHFFFAOYSA-N |
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| SMILES | NCc1ccc2OCCOc2c1 |
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| CAS Datenbank | 17413-10-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | 2735 |
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| Zollcode | 2932990090 |
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| R-Sätze (R) | 34-41 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Dam. 1 |
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