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3-(N,N-Dimethylcarbamoylimido)-1,1-dimethylharnstoff
TMAD · DIAMIDE · Tetramethylazodicarboxamide · (3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea · (E)-1-[(dimethylcarbamoyl)imino]-3,3-dimethylurea · (E)-N1,N1,N2,N2-tetramethyldiazene-1,2-dicarboxamide · 1,1'-AZOBIS(N,N-DIMETHYLFORMAMIDE) · 3-(Dimethylcarbamoylimino)-1,1-dimethylurea
Identifikatoren & physikalische Daten
| CAS No. | 10465-78-8 |
|---|---|
| Summenformel | C6H12N4O2 |
| Durchschnittliche Molmasse | 172,19 g/mol |
| Monoisotopische Masse | 172,09602562 g/mol |
| SMILES | CN(C)C(=O)N=NC(=O)N(C)C |
| InChIKey | VLSDXINSOMDCBK-UHFFFAOYSA-N |
| PubChem CID | 4278 |
| ChEMBL | CHEMBL1338900 |
| EC No. | 233-951-7 |
| DTXSID | DTXSID6040456 |
| Lokaler Name | 3-(N,N-Dimethylcarbamoylimido)-1,1-dimethylharnstoff |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Stoffklassen | Other Uses -> Biochemical Research |
| Physical Description | Yellow crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 112 °C |
| Siedepunkt | 220.4±23.0 °C(Predicted) |
| Dichte | 1.13±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | soluble in Methanolwater: 19.60-21.00mg/mL, clear to slightly hazy, orange |
| Aggregatzustand | crystalline |
| pKa (Säurekonstante) | -0+-.0.70(Predicted) |
| Farbe | yellow |
| BRN | 1910409 |
| InChI | InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3/b8-7+ |
| InChIKey | VLSDXINSOMDCBK-BQYQJAHWSA-N |
| SMILES | C(=O)(/N=N/C(=O)N(C)C)N(C)C |
| CAS Datenbank | 10465-78-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.WarningH315 (50%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 29-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29433 |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| F | 4.10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29270000 |
| RTECS-Nr. | LQ1041000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reported to be of use as a thiol oxidizing agent. Diamide has been used to titrate protein glutathiolation to discriminate from other oxidative protein modifications. Treatment increased protein glutathiolation in a concentration-dependent manner and had comparably little effect on protein-protein disulfide formation.