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4-Aminonicotinic acid
4-AMINONICOTINIC ACID · 4-AMINOPYRIDINE-3-CARBOXYLIC ACID · H-4ANIC-OH · AURORA KA-2553 · AKOS BBS-00001375 · IFLAB-BB F1957-0006 · RARECHEM AL BE 1386 · 4-Aminonicotinc acid
Identifikatoren & physikalische Daten
| CAS No. | 7418-65-7 |
|---|---|
| Summenformel | C6H6N2O2 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,04292743 g/mol |
| SMILES | Nc1ccncc1C(=O)O |
| InChIKey | IASBMUIXBJNMDW-UHFFFAOYSA-N |
| PubChem CID | 319979 |
| ChEMBL | CHEMBL3617320 |
| ChEBI | CHEBI:68577 |
| EC No. | 628-821-5 |
| DTXSID | DTXSID00313061 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 307-312 °C |
| Siedepunkt | 253.51°C (rough estimate) |
| Dichte | 1.3471 (rough estimate) |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in aqueous acid and base. |
| pKa (Säurekonstante) | 2.94±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Cream to yellow |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10) |
| InChIKey | IASBMUIXBJNMDW-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(N)=C1C(O)=O |
| CAS Datenbank | 7418-65-7(CAS DataBase Reference) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-amino Nicotinic acid is a synthetic intermediate that has been used in various syntheses.
Verwenden
4-Aminonicotinic acid has been used in the preparation of 2-methyl-pyrido-oxazine. It is also used as pharmaceutical intermediate.