HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 720149Erstellt: 2. November 2026
1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-
N,N'-BIS-(6-METHYL-PYRIDIN-2-YL)-ISOPHTHALAMIDE · 1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)- · 1,3-Benzenedicarboxamide, N1,N3-bis(6-methyl-2-pyridinyl)-
https://huagongshe.com/de/chemical/720149
Identifikatoren & physikalische Daten
| CAS No. | 130760-57-5 |
|---|
| Summenformel | C20H18N4O2 |
|---|
| Durchschnittliche Molmasse | 346,4 g/mol |
|---|
| Monoisotopische Masse | 346,14297583 g/mol |
|---|
| SMILES | Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)n1 |
|---|
| InChIKey | NATVKKXERQXPEP-UHFFFAOYSA-N |
|---|
| PubChem CID | 720149 |
|---|
| ChEMBL | CHEMBL1315152 |
|---|
| EC No. | 163-655-2 |
|---|
| DTXSID | DTXSID40352151 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|
| Polarare Oberfläche (TPSA) | 84 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 26 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 456 |
|---|
| Löslichkeit | 0.9 [ug/mL] (The mean of the results at pH 7.4) |
|---|
| Siedepunkt | 424.9±45.0 °C(Predicted) |
|---|
| Dichte | 1.301±0.06 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 11.37±0.70(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, 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. |
|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
|---|
