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Malonamid
PROPANEDIAMIDE · MALONDIAMIDE · MALONODIAMIDE · NSC 2134 · MALONAMIDE · Malonamide>AURORA KA-4099 · malonicdiamide · Malonyldiamide
Identifikatoren & physikalische Daten
| CAS No. | 108-13-4 |
|---|---|
| Summenformel | C3H6N2O2 |
| Durchschnittliche Molmasse | 102,09 g/mol |
| Monoisotopische Masse | 102,04292743 g/mol |
| SMILES | NC(=O)CC(N)=O |
| InChIKey | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| PubChem CID | 7911 |
| ChEBI | CHEBI:48537 |
| EC No. | 203-553-8 |
| DTXSID | DTXSID1040116 |
| Lokaler Name | Malonamid |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Stoffklassen | Other Classes -> Amides, Other |
| SpringerMaterials Properties | Crystal structure |
| Physical Description | White crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 172-175 °C (lit.) |
| Siedepunkt | 191.38°C (rough estimate) |
| Dichte | 1.3516 (rough estimate) |
| Brechungsindex | 1.5110 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in HCl.180 g/L (20 ºC) |
| pKa (Säurekonstante) | 7.00±0.70(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1751401 |
| InChI | InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7) |
| InChIKey | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| SMILES | C(N)(=O)CC(N)=O |
| CAS Datenbank | 108-13-4(CAS DataBase Reference) |
| NIST chemische Informationen | Propanediamide(108-13-4) |
| EPA chemische Informationen | Propanediamide (108-13-4) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: PropanediamidePropanediamide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See n-Butylamide and Succinamide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241900 |
| RTECS-Nr. | ON9125000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Malonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. It is functionally related to a malonic acid.
Verwenden
Malonamide is used in the synthesis of malonamic acid, malonamate and malonamide derivative of some heterocyclic compounds with antiinflammatory activity.