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Methyliminodiessigsaeure
MIDA · METHYLIMINODIACETIC ACID · 2,2'-(methylazanediyl)diacetic acid · strombine · MIDA ligand · N-Methyliminodiaceticaci · Methyliminobisacetic acid · N-METHYLIMINODIACETIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 4408-64-4 |
|---|---|
| Summenformel | C5H9NO4 |
| Durchschnittliche Molmasse | 147,13 g/mol |
| Monoisotopische Masse | 147,05315777 g/mol |
| SMILES | CN(CC(=O)O)CC(=O)O |
| InChIKey | XWSGEVNYFYKXCP-UHFFFAOYSA-N |
| PubChem CID | 20441 |
| ChEMBL | CHEMBL1741474 |
| EC No. | 224-557-6 |
| DTXSID | DTXSID00196033 |
| Lokaler Name | Methyliminodiessigsaeure |
Chemische & physikalische Eigenschaften
| XLogP | -3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 220 °C (dec.)(lit.) |
| Siedepunkt | 267.21°C (rough estimate) |
| Dichte | 1.4285 (rough estimate) |
| Brechungsindex | 1.4210 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Methanol (Slightly, Heated, Sonicated), Water (Soluble)Soluble in water. Slightly soluble in dimethyl sulfoxide. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pK1:2.15pK2:10.09 (25°C) |
| Farbe | White to cream |
| BRN | 1765449 |
| InChI | InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10) |
| InChIKey | XWSGEVNYFYKXCP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CN(CC(O)=O)C |
| LogP (Verteilungskoeffizient) | -0.910 (est) |
| CAS Datenbank | 4408-64-4(CAS DataBase Reference) |
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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Glycine, N-(carboxymethyl)-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| Zollcode | 29171900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N-Methyliminodiacetic acid is used to prepare bis-(1H-benzoimidazol-2-ylmethyl)-methyl-amine by condensation with benzene-1,2-diamine. It is involved in Suzuki cross-coupling with N-methyliminodiacetic acid (MIDA) boronates. It acts as a reagent utilized for protecting boronic acids and as a chelating agent for various metals.