tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate

• ChemBase ID: 133730
• Molecular Formular: C10H17K3N2O10
• Molecular Mass: 442.54428
• Monoisotopic Mass: 441.97943979
• SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.[K+].[K+].[K+]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)O)CC(=O)[O-].O.O.[K+].[K+].[K+]
• InChI: InChI=1S/C10H16N2O8.3K.2H2O/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*1H2/q;3*+1;;/p-3
• InChIKey: MAPFUJCWRWFQIY-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate
• IUPAC Traditional name: tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate
• Synonyms: Ethylenediaminetetraacetic acid tripotassium salt dihydrate; EDTA tripotassium salt; Edathamil; Tripotassium ethylenediaminetetraacetate dihydrate; EDTA 三钾盐; 乙二胺四乙酸三钾 二水合物; 依地酸; 乙二胺四乙酸 三钾盐 二水合物

Database IDs

• CAS Number: 65501-24-8
• MDL Number: MFCD00149672
• Beilstein Number: 6762497
• PubChem SID: 24845532; 162228007; 24886047; 24894365; 24845533
• PubChem CID: 2733162

CALCULATED PROPERTIES

• Acid pKa: 1.486185
• H Acceptors: 10
• H Donor: 1
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• Molar Refractivity: 94.8569 cm^3
• Polarizability: 24.339533 Å^3
• Polar Surface Area: 164.17 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless
• Melting Point: 182 °C (dec.)(lit.)
• Absorption Wavelength: λ: 260 nm Amax: 1.5; λ: 280 nm Amax: 0.05
• pH: 7.0-9.0 (25 °C, 0.1 M 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: ≥96.0% (KT); ≥99.0% (KT); 98%; 98% (titration)
• Grade: puriss. p.a.; purum
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤20 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤2000 mg/kg; Na: ≤3000 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Quality Level: PREMIUM
• λ: 0.1 M in H2O
• Product Line: BioUltra
• Linear Formula: (KOOCCH2)2NCH2CH2N(CH2COOK)CH2COOH · 2H2O

DETAILS

Sigma Aldrich - E0270

Application
用于消除因痕量重金属引起的对酶催化反应的抑制
包装
25, 100 g in poly bottle

Sigma Aldrich - 293415

Application
Used to eliminate inhibition of enzyme catalyzed reactions due to traces of heavy metals
Packaging
5, 100 g in glass bottle

Sigma Aldrich - 03664

Application
Used to eliminate inhibition of enzyme catalyzed reactions due to traces of heavy metals
Ethylenediaminetetraacetic acid tripotassium salt dehydrate can be used to study chelators, biochemicals and reagents. EDTA tripotassium salt has been used in a study to assess the safety of EDTA and HEDTA ingredients in cosmetic formulations.

Sigma Aldrich - 03665

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

Sigma Aldrich - 70072

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