HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4599331Erstellt: 2. November 2026
2-Amino-1-(3-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile · 2-amino-1-{3-nitrophenyl}-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
https://huagongshe.com/de/chemical/4599331
Identifikatoren & physikalische Daten
| CAS No. | 296771-35-2 |
|---|
| Summenformel | C21H17N5O3 |
|---|
| Durchschnittliche Molmasse | 387,4 g/mol |
|---|
| Monoisotopische Masse | 387,13313942 g/mol |
|---|
| SMILES | N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)C1c1cccnc1 |
|---|
| InChIKey | IVJNHABVTGQSGE-UHFFFAOYSA-N |
|---|
| PubChem CID | 4599331 |
|---|
| EC No. | 648-144-9 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|
| Polarare Oberfläche (TPSA) | 129 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 7 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 29 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 818 |
|---|
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
|---|
