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65501-24-8 molecular structure
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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 and InChIs

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

Cite this record

CBID:133730 http://www.chembase.cn/molecule-133730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
65501-24-8
MDL Number
MFCD00149672
Beilstein Number
6762497
PubChem SID
24845532
24894365
162228007
24886047
24845533
PubChem CID
2733162

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2733162 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.486185  H Acceptors 10 
H Donor LogD (pH = 5.5) -10.586659 
LogD (pH = 7.4) -14.721412  Log P -5.221795 
Molar Refractivity 94.8569 cm3 Polarizability 24.339533 Å3
Polar Surface Area 164.17 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 M at 20 °C, clear, colorless expand Show data source
Melting Point
182 °C (dec.)(lit.) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 1.5 expand Show data source
λ: 280 nm Amax: 0.05 expand Show data source
pH
7.0-9.0 (25 °C, 0.1 M in H2O) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥96.0% (KT) expand Show data source
≥99.0% (KT) expand Show data source
98% expand Show data source
98% (titration) expand Show data source
Grade
puriss. p.a. expand Show data source
purum expand Show data source
Impurities
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤20 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤2000 mg/kg expand Show data source
Na: ≤3000 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤500 mg/kg expand Show data source
Quality Level
PREMIUM expand Show data source
λ
0.1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
(KOOCCH2)2NCH2CH2N(CH2COOK)CH2COOH · 2H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E0270 external link
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 external link
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 external link
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 external link
Application
Used to eliminate inhibition of enzyme catalyzed reactions due to traces of heavy metals
Sigma Aldrich - 70072 external link
Application
Used to eliminate inhibition of enzyme catalyzed reactions due to traces of heavy metals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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