HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 168705Erstellt: 27. Oktober 2026
Methyl-4-amino-o-anisat
lenvaint-A · Amisulpride Impurity 20 · Amisulpride Impurity 37 · methyl 4-amino-o-anisate · Metoclopramide Impurity 04 · METHYL 4-AMINO-2-METHOXYBENZOATE · Methyl 4-aMino-4-Methoxybenzoate · Methyl 4-amino-2-methaxybenzoate
https://huagongshe.com/de/chemical/168705
Identifikatoren & physikalische Daten
| CAS No. | 27492-84-8 |
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| Summenformel | C9H11NO3 |
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| Durchschnittliche Molmasse | 181,19 g/mol |
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| Monoisotopische Masse | 181,07389321 g/mol |
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| SMILES | COC(=O)c1ccc(N)cc1OC |
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| InChIKey | YUPQMVSYNJQULF-UHFFFAOYSA-N |
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| PubChem CID | 168705 |
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| EC No. | 248-494-9 |
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| DTXSID | DTXSID70181911 |
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| Lokaler Name | Methyl-4-amino-o-anisat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 61,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 184 |
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| Schmelzpunkt | 155-159 °C (lit.) |
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| Siedepunkt | 339.2±22.0 °C(Predicted) |
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| Dichte | 1.179±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Heated) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 2.04±0.10(Predicted) |
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| Farbe | White |
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| InChI | InChI=1S/C9H11NO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,10H2,1-2H3 |
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| InChIKey | YUPQMVSYNJQULF-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)C1=CC=C(N)C=C1OC |
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| CAS Datenbank | 27492-84-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 4 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 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 22-36/37/38-20/21/22 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-36-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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