copper(2+) ion diammonium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate

• ChemBase ID: 158344
• Molecular Formular: C10H20CuN4O8
• Molecular Mass: 387.8338
• Monoisotopic Mass: 387.05771112
• SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[Cu+2]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[Cu+2]
• InChI: InChI=1S/C10H16N2O8.Cu.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H3/q;+2;;/p-2
• InChIKey: QWQCKWBAUUOYMU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion diammonium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
• IUPAC Traditional name: copper(2+) ion diammonium ion(4-) edta
• Synonyms: Copper diammonium EDTA; Diammonium copper ethylenediaminetetraacetate solution; Ethylenediaminetetraacetic acid diammonium copper salt solution; EDTA 铜铵; EDTA-铜铵络合物 溶液; 乙二胺四乙酸铜二铵 溶液

Database IDs

• CAS Number: 67989-88-2
• EC Number: 231-791-2
• MDL Number: MFCD01863036
• PubChem SID: 162252480; 24869829
• PubChem CID: 16213032

CALCULATED PROPERTIES

• Acid pKa: 1.486185
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• Molar Refractivity: 105.694 cm^3
• Polarizability: 24.221308 Å^3
• Polar Surface Area: 167.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Concentration: 0.025 M EDTA-Cu(NH4)2
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: volumetric
• Empirical Formula (Hill Notation): C10H20CuN4O8

DETAILS

Sigma Aldrich - 46122

Application
for complexometric titration with copper-selective electrode (Cu-ISE)
Caution
free of precipitate
General description
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