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N-[5-(Phenylamino)penta-2,5-dienyliden]anilinmonohydrochlorid
N-[5-(PHENYLAMINO)-2,4-PENTADIENYLIDENE]ANILINE MONOHYDROCHLORIDE · GLUTACONDIANIL HCL · GLUTACONALDEHYDEDIANIL HYDROCHLORIDE · GLUTACONIC ALDEHYDE DIANILIDE HYDROCHLORIDE · N-(5-(Phenylimino)penta-1,3-dien-1-yl)aniline hydrochloride · GLUTACONDIALDEHYDE HCL · GlutacondialdehydeDianilHCl · GLUTACONDIANIL HYDROCHLORIDE
![Molekülstruktur von N-[5-(Phenylamino)penta-2,5-dienyliden]anilinmonohydrochlorid](/img/chemical/73902.png)
Identifikatoren & physikalische Daten
| CAS No. | 1497-49-0 |
|---|---|
| Summenformel | C17H17ClN2 |
| Durchschnittliche Molmasse | 284,8 g/mol |
| Monoisotopische Masse | 284,10802622 g/mol |
| SMILES | C(=CC=Nc1ccccc1)C=CNc1ccccc1.Cl |
| InChIKey | VUCMMJBDNXZQDJ-UHFFFAOYSA-N |
| PubChem CID | 73902 |
| EC No. | 216-094-3 |
| DTXSID | DTXSID7044398 |
| Lokaler Name | N-[5-(Phenylamino)penta-2,5-dienyliden]anilinmonohydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 24,4 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 305 |
| Schmelzpunkt | 152 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly)Soluble in methanol. Insoluble in water.. |
| Aggregatzustand | Powder |
| Farbe | Bordeaux to purple |
| BRN | 3916924 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H1H/b9-3+,14-8+,19-15+ |
| InChIKey | VUCMMJBDNXZQDJ-SAIFEKGMSA-N |
| SMILES | C1(N/C=C/C=C/C=N/C2C=CC=CC=2)C=CC=CC=1.Cl |
| CAS Datenbank | 1497-49-0(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, N-[5-(phenylamino)-2,4-pentadienylidene]-, monohydrochloride (1497-49-0) |
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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26083 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36/37/39-26-37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Glutacondianil Hydrochloride is used as a reagent in the synthesis of novel vinylsulfone cyanine dyes used for labelling biomolecules. Dyes and metabolites.