HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(2-Pyridylmethyl)pyridin-2-methylamin
dipicolylamine · DI-(2-PICOLYL)AMINE · Bispicolylamine · NSC 176070 · BIS-2-PICOLYLAMINE · Dimethylpyridinium · 2,2'-Dipicolylamine · Dimethylpyridinamine
Identifikatoren & physikalische Daten
| CAS No. | 1539-42-0 |
|---|---|
| Summenformel | C12H13N3 |
| Durchschnittliche Molmasse | 199,25 g/mol |
| Monoisotopische Masse | 199,11094742 g/mol |
| SMILES | c1ccc(CNCc2ccccn2)nc1 |
| InChIKey | KXZQYLBVMZGIKC-UHFFFAOYSA-N |
| PubChem CID | 73759 |
| ChEMBL | CHEMBL1650627 |
| EC No. | 216-266-8 |
| DTXSID | DTXSID8061767 |
| Lokaler Name | N-(2-Pyridylmethyl)pyridin-2-methylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 154 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| Physical Description | Yellow liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 139-141 °C/1 mmHg (lit.) |
| Dichte | 1.107 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.578(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | water: soluble (partially miscible)(lit.) |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 5.89±0.20(Predicted) |
| Farbe | White to Yellow to Green |
| InChI | InChI=1S/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2 |
| InChIKey | KXZQYLBVMZGIKC-UHFFFAOYSA-N |
| SMILES | C1(CNCC2=NC=CC=C2)=NC=CC=C1 |
| EPA chemische Informationen | 2,2'-Dipicolylamine (1539-42-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (29%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 62 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (29%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,2'-Dipicolylamine is a metal chelators and a potential MBL inhibitors.