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| IUPAC Name: | 2-[bis(carboxymethyl)amino]acetic acid |
| Description: | Nitrilotriacetic acid (CAS# 139-13-9) is a chelating agent which forms coordination compounds with metal ions. Nitrilotriacetic acid is used in complexometric titrations and as well as for protein isolation and purification in the His-tag method. This compound is a contaminant of emerging concern (CECs). |
| Molecular Weight: | 191.14 |
| Molecular Formula: | C6H9NO6 |
| Canonical SMILES: | C(C(=O)O)N(CC(=O)O)CC(=O)O |
| InChI: | InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) |
| InChI Key: | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
| Boiling Point: | 498.2 °C at 760 mmHg |
| Melting Point: | 246°C |
| Flash Point: | 100°C |
| Density: | 1.61 g/cm3 |
| Solubility: | less than 0.1 mg/mL at 73 °F |
| Appearance: | Odorless white solid. sinks in and mixes with water. |
| Storage: | Store at RT. |
| Decomposition: | When heated to decomposition it emits toxic fumes of /nitrogen oxides |
| MDL: | MFCD00004287 |
| LogP: | -1.45780 |
| pH: | pH of saturated aqueous solution = 2.3 |
| Stability: | Stable under normal temperatures and pressures. |
| Vapor Pressure: | 0.00000001 [mmHg] |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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