HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11368995Erstellt: 30. Oktober 2026
KR-32568
KR 32568,KR32568 · KR-32568, 10 mM in DMSO · KR-32568 >=98% (HPLC), solid · N-Carbamimidoyl-5-(5-fluoro-2-methylphenyl)furan-2-carboxamide · 2-Furancarboxamide, N-(aminoiminomethyl)-5-(5-fluoro-2-methylphenyl)-
https://huagongshe.com/de/chemical/11368995
Identifikatoren & physikalische Daten
| CAS No. | 852146-73-7 |
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| Summenformel | C13H12FN3O2 |
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| Durchschnittliche Molmasse | 261,25 g/mol |
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| Monoisotopische Masse | 261,0913548 g/mol |
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| SMILES | Cc1ccc(F)cc1-c1ccc(C(=O)N=C(N)N)o1 |
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| InChIKey | DTLDHYBZLVASJQ-UHFFFAOYSA-N |
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| PubChem CID | 11368995 |
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| ChEMBL | CHEMBL189789 |
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| EC No. | 632-941-3 |
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| DTXSID | DTXSID60463814 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 94,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 371 |
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| Schmelzpunkt | 176 °C |
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| Dichte | 1.38±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | DMSO: ~10 mg/mL |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 7.31±0.46(Predicted) |
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| Farbe | white |
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| InChI | 1S/C13H12FN3O2/c1-7-2-3-8(14)6-9(7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18) |
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| InChIKey | DTLDHYBZLVASJQ-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(F)cc1-c2ccc(o2)C(=O)NC(N)=N |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 39 reports by companies from 2 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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