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HCID 1669Erstellt: 26. Oktober 2026
3-Methoxytyramine
4-(2-Aminoethyl)-2-methoxyphenol · Methoxytyramine · 3-Methoxy-4-hydroxyphenethylamine · 3-Methyldopamine · Homovanily amine · 3-Methoxydopamine · Dopamine impurity B · Dopamine EP Impurity B
https://huagongshe.com/de/chemical/1669
Identifikatoren & physikalische Daten
| CAS No. | 554-52-9 |
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| Summenformel | C9H13NO2 |
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| Durchschnittliche Molmasse | 167,2 g/mol |
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| Monoisotopische Masse | 167,09462866 g/mol |
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| SMILES | COc1cc(CCN)ccc1O |
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| InChIKey | DIVQKHQLANKJQO-UHFFFAOYSA-N |
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| PubChem CID | 1669 |
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| ChEMBL | CHEMBL1160785 |
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| ChEBI | CHEBI:1582 |
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| EC No. | 611-267-3 |
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| DTXSID | DTXSID40862189 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 55,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| LogP (Verteilungskoeffizient) | -0.08 |
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| Physical Description | Solid |
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| Collision Cross Section | 146.7 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]146.9 Ų [M+H]+ |
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| Schmelzpunkt | 89 °C |
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| Siedepunkt | 304.5±27.0 °C(Predicted) |
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| Dichte | 1.126±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Refrigerator, under inert atmosphere |
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| Löslichkeit | Acetonitrile (Slightly, Heated), Methanol (Slightly, Heated), Water (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 9.57±0.31(Predicted) |
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| Farbe | Pale Brown to Light Brown |
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| Stabilität | Hygroscopic |
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| InChI | InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 |
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| InChIKey | DIVQKHQLANKJQO-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC=C(CCN)C=C1OC |
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| NIST chemische Informationen | 3-Methoxy-4-hydroxyphenylethyl amine(554-52-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.WarningH319 (96.7%): 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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Status: Active Update: 03-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19202 |
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| Hazard Classes and Categories | Eye Irrit. 2 (96.7%) |
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| Zollcode | 29225090 |
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