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HCID 4100111Erstellt: 3. November 2026
7-amino-4-hydroxy-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
7-amino-4-hydroxy-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile · 7-AMINO-4-OXO-5-PHENYL-3,5-DIHYDRO-4H-PYRANO(2,3-D)PYRIMIDINE-6-CARBONITRILE · 4H-Pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-3,5-dihydro-4-oxo-5-phenyl-
https://huagongshe.com/de/chemical/4100111
Identifikatoren & physikalische Daten
| CAS No. | 326915-59-7 |
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| Summenformel | C14H10N4O2 |
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| Durchschnittliche Molmasse | 266,25 g/mol |
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| Monoisotopische Masse | 266,08037557 g/mol |
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| SMILES | N#CC1=C(N)Oc2nc[nH]c(=O)c2C1c1ccccc1 |
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| InChIKey | IMGMDPKDQCYHJH-UHFFFAOYSA-N |
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| PubChem CID | 4100111 |
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| EC No. | 104-789-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 101 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 588 |
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| Schmelzpunkt | 258-260 °C(Solv: N,N-dimethylformamide (68-12-2)water (7732-18-5)) |
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| Siedepunkt | 565.8±60.0 °C(Predicted) |
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| Dichte | 1.48±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.95±0.40(Predicted) |
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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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![Molekülstruktur von 7-amino-4-hydroxy-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile](/img/chemical/4100111.png)