HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78101Erstellt: 27. Oktober 2026
3-Methylanthranilsaeure
2-AMINO-3-METHYLBENZOIC ACID · 2-Amino-3-methylbenzoate · 2-Amino-3-methyL · Fluralaner-033 · 2-Amino-3-methylbenz · 2-AMINO-M-TOLUIC ACID · 3-Methyl-2-aMino-acid · Niraparib Impurity 14
https://huagongshe.com/de/chemical/78101
Identifikatoren & physikalische Daten
| CAS No. | 4389-45-1 |
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| Summenformel | C8H9NO2 |
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| Durchschnittliche Molmasse | 151,16 g/mol |
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| Monoisotopische Masse | 151,06332853 g/mol |
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| SMILES | Cc1cccc(C(=O)O)c1N |
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| InChIKey | WNAJXPYVTFYEST-UHFFFAOYSA-N |
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| PubChem CID | 78101 |
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| ChEBI | CHEBI:80574 |
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| EC No. | 224-505-2 |
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| DTXSID | DTXSID30195978 |
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| Lokaler Name | 3-Methylanthranilsaeure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Arzneimittel | Pharmaceuticals -> Metabolite of Lidocaine |
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| SpringerMaterials Properties | Crystal structure |
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| Schmelzpunkt | 174-177 °C (lit.) |
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| Siedepunkt | 273.17°C (rough estimate) |
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| Dichte | 1.2023 (rough estimate) |
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| Brechungsindex | 1.5810 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | DMSO, Methanol |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 5.01±0.10(Predicted) |
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| Farbe | Pink to gray-brown |
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| BRN | 2359694 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
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| InChIKey | WNAJXPYVTFYEST-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=CC(C)=C1N |
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| CAS Datenbank | 4389-45-1(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Amino-3-methylbenzoic acid(4389-45-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86%): 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 50 reports by companies from 7 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 (86%) |
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| F | 10 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29224999 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 24/25-36-26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 11 - Combustible Solids |
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