HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75451Erstellt: 26. Oktober 2026
3-(4-Aminophenyl)propionic acid
3-(4-AMINOPHENYL)PROPANOIC ACID · AKOS BB-8808 · CAS:2393-17-1 · TIMTEC-BB SBB010089 · p-Aminohydrocinnamic acid · 4-AMINOHYDROCINNAMIC ACID · 4-Aminobenzenepropionic acid · 4-Aminobenzenepropanoic acid
https://huagongshe.com/de/chemical/75451
Identifikatoren & physikalische Daten
| CAS No. | 2393-17-1 |
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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 | Nc1ccc(CCC(=O)O)cc1 |
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| InChIKey | WXOHKMNWMKZMND-UHFFFAOYSA-N |
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| PubChem CID | 75451 |
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| EC No. | 219-245-1 |
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| DTXSID | DTXSID90178641 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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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 | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Schmelzpunkt | 133-137 °C (lit.) |
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| Siedepunkt | 351℃ |
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| Dichte | 1.217 |
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| Flammpunkt | 166℃ |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | 4.52±0.10(Predicted) |
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| Farbe | Off-white to brown |
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| BRN | 2209840 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | 1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12) |
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| InChIKey | WXOHKMNWMKZMND-UHFFFAOYSA-N |
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| SMILES | Nc1ccc(CCC(O)=O)cc1 |
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| CAS Datenbank | 2393-17-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 47 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29224999 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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