HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Amino-4-methylcumarin
AMC · 7-AMINO-4-METHYL-2H-CHROMEN-2-ONE · 7-AMINO-4-METHYLCOUMARIN · C120 · 7-AMC · 4-Methyl-7-aminocoumarin · AMC 7-Amino-4-Methylcoumarin · 2H-1-Benzopyran-2-one, 7-amino-4-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 26093-31-2 |
|---|---|
| Summenformel | C10H9NO2 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,06332853 g/mol |
| SMILES | Cc1cc(=O)oc2cc(N)ccc12 |
| InChIKey | GLNDAGDHSLMOKX-UHFFFAOYSA-N |
| PubChem CID | 92249 |
| ChEMBL | CHEMBL270672 |
| ChEBI | CHEBI:51771 |
| EC No. | 247-454-8 |
| DTXSID | DTXSID40885333 |
| Lokaler Name | 7-Amino-4-methylcumarin |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 260 |
| Stoffklassen | Dyes -> Coumarin Dyes |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Powder[MSDS] |
| Schmelzpunkt | 223-226 °C (lit.) |
| Siedepunkt | 306.47°C (rough estimate) |
| Dichte | 1.1999 (rough estimate) |
| Brechungsindex | 1.5060 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in acetone (10 mg/ml) dimethyl sulfoxide (10 mg/ml) and dimethylformamide. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 1.89 ± 0.20, most basic, temperature: 25 °C |
| Farbe | Beige to brown |
| BRN | 142231 |
| Hauptanwendungen | For authentificationdyelaserscolor display devicesinksmonitoring underlying corrosion on coated aluminumphotoinitiating systemsrecording materialssemiconductor devicesdye-sensitized solar cells(DSCs)mesoporous silica fibersSiO2 sonogelhybrid materialstextileswaveguideswhitening agents, |
| InChI | 1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3 |
| InChIKey | GLNDAGDHSLMOKX-UHFFFAOYSA-N |
| SMILES | CC1=CC(=O)Oc2cc(N)ccc12 |
| CAS Datenbank | 26093-31-2(CAS DataBase Reference) |
| NIST chemische Informationen | Coumarin, 7-amino-4-methyl-(26093-31-2) |
| EPA chemische Informationen | 2H-1-Benzopyran-2-one, 7-amino-4-methyl- (26093-31-2) |
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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause skin and respiratory tract irritation[MSDSonline] The 3 laser dyes tested for skin sensitization were found to be negative. [Blackwell Synergy - Contact Dermatitis, Volume 21, Issue 3, Page 141-147, September 1989] See Coumarin. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32049000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Coumarin 120 is widely used fluorophore, well-known for preparing fluorogenic substrates for cystine aminopeptidase and other hydrolases. Used as reference compound in enzyme assays.