HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Benzyloxy-2-pyridylamin
3-Benzyloxy-2-aminopyridine · 3-(BENZYLOXY)PYRIDIN-2-AMINE · NSC 298538 · TIMTEC-BB SBB000394 · 2-Amino-3-benzyloxyp · Indacaterol Impurity 76 · 3-Benzyloxy-2-pyridylamin · 3-Benzyloxy-2-pyridylamine
Identifikatoren & physikalische Daten
| CAS No. | 24016-03-3 |
|---|---|
| Summenformel | C12H12N2O |
| Durchschnittliche Molmasse | 200,24 g/mol |
| Monoisotopische Masse | 200,094963 g/mol |
| SMILES | Nc1ncccc1OCc1ccccc1 |
| InChIKey | NMCBWICNRJLKKM-UHFFFAOYSA-N |
| PubChem CID | 90334 |
| ChEMBL | CHEMBL194009 |
| EC No. | 245-983-9 |
| DTXSID | DTXSID50178748 |
| Lokaler Name | 3-Benzyloxy-2-pyridylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 180 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 92-94 °C (lit.) |
| Siedepunkt | 337.96°C (rough estimate) |
| Dichte | 1.1131 (rough estimate) |
| Brechungsindex | 1.6660 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.40±0.10(Predicted) |
| Farbe | Green to brown |
| BRN | 392674 |
| InChI | InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14) |
| InChIKey | NMCBWICNRJLKKM-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=CC=C1OCC1=CC=CC=C1 |
| CAS Datenbank | 24016-03-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pyridinamine, 3-(phenylmethoxy)-(24016-03-3) |
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 47 reports by companies from 7 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 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29221985 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-24/25-36/37/39-22,26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-3-benzyloxypyridine is used in preparation of pyridinyl/pyridazinyloxymethyl substituted Raf kinase inhibitors.