HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 577016Erstellt: 2. November 2026
4-Aminopyridine-3-carbonitrile
4-AMINO-NICOTINONITRILE · 4-aMinopyridine-3-carbonitrile · 4-aMino-3-Pyridinecarbonitrile · 3-Pyridinecarbonitrile, 4-amino-
https://huagongshe.com/de/chemical/577016
Identifikatoren & physikalische Daten
| CAS No. | 15827-84-6 |
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| Summenformel | C6H5N3 |
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| Durchschnittliche Molmasse | 119,12 g/mol |
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| Monoisotopische Masse | 119,04834717 g/mol |
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| SMILES | N#Cc1cnccc1N |
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| InChIKey | LCUHGVFLYAQKDO-UHFFFAOYSA-N |
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| PubChem CID | 577016 |
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| EC No. | 818-273-7 |
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| DTXSID | DTXSID20341927 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 62,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 134 |
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| Siedepunkt | 350.0±27.0 °C(Predicted) |
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| Dichte | 1.23±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | DMSO (Sparingly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 5.73±0.12(Predicted) |
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| Farbe | White to Light Yellow |
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| InChI | InChI=1S/C6H5N3/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,(H2,8,9) |
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| InChIKey | LCUHGVFLYAQKDO-UHFFFAOYSA-N |
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| SMILES | C1=NC=CC(N)=C1C#N |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 | Acute Tox. 4 (100%) |
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| R-Sätze (R) | 22-37/38-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-39 |
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