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

• ChemBase ID: 157331
• Molecular Formular: C10H12CuN2Na2O8
• Molecular Mass: 397.73642
• Monoisotopic Mass: 396.96850142
• SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Cu+2]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Cu+2]
• InChI: InChI=1S/C10H16N2O8.Cu.2Na/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);;;/q;+2;2*+1/p-4
• InChIKey: KCFCAUKZKOSSBI-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
• IUPAC Traditional name: copper(2+) ion disodium ion(4-) edta
• Synonyms: (Ethylenedinitrilo)tetraacetic acid copper(II) disodium salt; Copper disodium ethylenediaminetetraacetate; EDTA copper(II) disodium salt; Edathamil; Ethylenediaminetetraacetic acid copper(II) disodium salt; Copper EDTA solution; Ethylenediaminetetraacetic acid copper(II) disodium salt solution; EDTA 铜(II) 二钠盐; 乙二胺四乙酸铜钠; 亚乙基二次氮基四乙酸 铜(II) 二钠盐; 依地酸; 乙二胺四乙酸 铜(II) 二钠盐; EDTA 铜 溶液; 依地酸 铜(II) 二钠盐 溶液; IDRANAL™ II 铜

Database IDs

• CAS Number: 39208-15-6
• EC Number: 254-356-9
• MDL Number: MFCD00148920
• PubChem SID: 24845536; 162251468
• PubChem CID: 51964

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

Physical Property

• Density: 0.98-1.02 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (calculated on dry substance, RT)
• Concentration: 0.01 M
• Grade: for complexometry
• Impurities: ≤12% water
• Quality: volumetric
• Linear Formula: Cu(OOCCH2)2NCH2CH2N(CH2COONa)2

DETAILS

Sigma Aldrich - 03668

Application
Used to eliminate inhibition of enzyme catalyzed reactions due to traces of heavy metals

Sigma Aldrich - 35332

General description
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