HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 53503Erstellt: 26. Oktober 2026
p-Boronophenylalanine
4-boronophenylalanine · L-p-Boronophenylalanine · 4-dihydroxyboryl-l-phenylalanine · 4-L-BPA · EOS-61315 · L-PHE[B(OH)2] · H-S-PHE(4-B(OH)2)-OH · Lisinopril Impurity 26
https://huagongshe.com/de/chemical/53503
Identifikatoren & physikalische Daten
| CAS No. | 76410-58-7 |
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| Summenformel | C9H12BNO4 |
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| Durchschnittliche Molmasse | 209,01 g/mol |
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| Monoisotopische Masse | 209,08593826 g/mol |
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| SMILES | NC(Cc1ccc(B(O)O)cc1)C(=O)O |
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| InChIKey | NFIVJOSXJDORSP-UHFFFAOYSA-N |
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| PubChem CID | 53503 |
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| ChEMBL | CHEMBL298071 |
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| EC No. | 807-298-9 |
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| DTXSID | DTXSID701379223 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 104 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 216 |
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| Schmelzpunkt | 285-293℃ (dec.) |
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| Siedepunkt | 449.3±55.0 °C(Predicted) |
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| Dichte | 1.34±0.1 g/cm3 (20 ºC 760 Torr) |
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| Lagerbedingungen | Inert atmosphere,2-8°C |
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| Löslichkeit | Aqueous Acid (Slightly) |
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| pKa (Säurekonstante) | 2.20±0.10(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | White to off-white |
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| BRN | 4458616 |
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| InChI | InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1 |
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| InChIKey | NFIVJOSXJDORSP-QMMMGPOBSA-N |
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| SMILES | C(O)(=O)[C@H](CC1=CC=C(B(O)O)C=C1)N |
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| CAS Datenbank | 76410-58-7(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| F | 1-10 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29310099 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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