tetrapotassium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxylatomethyl)amino)acetate tetrahydrate

• ChemBase ID: 157973
• Molecular Formular: C20H36K4N4O20
• Molecular Mass: 808.90784
• Monoisotopic Mass: 808.04711629
• SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.O.[K+].[K+].[K+].[K+]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)O)CC(=O)O.[O-]C(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)[O-].O.O.O.O.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/2C10H16N2O8.4K.4H2O/c2*13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h2*1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;4*1H2/q;;4*+1;;;;/p-4
• InChIKey: CLPISVNLBZMRBQ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxylatomethyl)amino)acetate tetrahydrate
• IUPAC Traditional name: tetrapotassium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxylatomethyl)amino)acetate tetrahydrate
• Synonyms: (Ethylenedinitrilo)tetraacetic acid dipotassium salt; Dipotassium ethylenediaminetetraacetate dihydrate; EDTA dipotassium salt; Edathamil; Potassium ethylenediaminetetraacetate dibasic; Ethylenediaminetetraacetic acid dipotassium salt dihydrate; EDTA 二钾盐; 乙二胺四乙酸二钾盐 二水合物; 乙二胺四乙酸钾; 依地酸; 四乙酸二氨基乙烯 二钾盐; 乙二胺四乙酸 二钾盐 二水合物

Database IDs

• CAS Number: 25102-12-9
• EC Number: 217-895-0
• PubChem SID: 162252109
• PubChem CID: 71312619

CALCULATED PROPERTIES

• Acid pKa: 1.486185
• H Acceptors: 10
• H Donor: 2
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• Molar Refractivity: 84.0198 cm^3
• Polarizability: 24.457794 Å^3
• Polar Surface Area: 161.34 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 255-280 °C (dec.)(lit.)
• pH: 4-5 (25 °C, 50 mg/mL in H2O)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 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: ≥99.0% (KT)
• Grade: puriss. p.a.
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤1000 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Linear Formula: HOOCCH2(KOOCCH2)NCH2CH2N(CH2COOK)CH2COOH · 2H2O

DETAILS

Sigma Aldrich - 03660

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