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194491-31-1 molecular structure
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tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate hydrate

ChemBase ID: 132358
Molecular Formular: C10H14N2Na4O9
Molecular Mass: 398.18524
Monoisotopic Mass: 398.02900716
SMILES and InChIs

SMILES:
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
Canonical SMILES:
[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
InChI:
InChI=1S/C10H16N2O8.4Na.H2O/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);;;;;1H2/q;4*+1;/p-4
InChIKey:
GXFFSKMBMYHTAE-UHFFFAOYSA-J

Cite this record

CBID:132358 http://www.chembase.cn/molecule-132358.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate hydrate
IUPAC Traditional name
tetrasodium ion(4-) edta hydrate
Synonyms
Ethylenediaminetetraacetic acid tetrasodium salt hydrate
Edathamil
Ethylenediaminetetraacetic acid tetrasodium salt dihydrate
Tetrasodium ethylenediaminetetraacetate hydrate
EDTA tetrasodium salt
Tetrasodium ethylenediaminetetraacetate dihydrate
EDTA 四钠盐
乙二胺四乙酸四钠盐 水合物
依地酸
乙二胺四乙酸 四钠盐 水合物
乙二胺四乙酸四钠盐 二水合物
CAS Number
194491-31-1
10378-23-1
EC Number
200-573-9
MDL Number
MFCD00150025
MFCD00150026
Beilstein Number
3861753
PubChem SID
24894710
24894629
24845562
24856477
162226635
24894711
24845563
24894478
24894613
PubChem CID
16211056

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 105.694 cm3 Polarizability 24.221308 Å3
Polar Surface Area 167.0 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble, clear, colorless expand Show data source
H2O: soluble0.1 g/mL, clear expand Show data source
H2O: soluble0.1 g/mL, clear, colorless expand Show data source
H2O: soluble0.1 M, clear, colorless expand Show data source
H2O: soluble160 mg/mL expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
Absorption Wavelength
A0.1M/260, H2O ≤1.5 expand Show data source
A0.1M/280, H2O ≤0.06 expand Show data source
pH
11.0-12.0 (0.1 M in H2O) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-41 expand Show data source
Safety Statements
26-39-46 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥85% C10H12N2Na4O8 basis expand Show data source
≥95% expand Show data source
≥97.0% (KT) expand Show data source
≥98.0% (calc. based on dry substance, KT) expand Show data source
≥98.0% (KT) expand Show data source
≥98.5% expand Show data source
≥99.0% expand Show data source
98% expand Show data source
99.0-102.0% expand Show data source
99.0-102.0% (titration) expand Show data source
Grade
practical grade expand Show data source
purum expand Show data source
SAJ special grade expand Show data source
Suitability
suitable for cell culture expand Show data source
Impurities
~7.5% water expand Show data source
≤0.005% heavy metals (as Pb) expand Show data source
≤15% water (Karl Fischer) expand Show data source
5-10% water expand Show data source
Insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤0.001% expand Show data source
As: ≤0.0001% expand Show data source
Ba: ≤0.0005% expand Show data source
Bi: ≤0.0005% expand Show data source
Ca: <0.001% expand Show data source
Cd: ≤0.0005% expand Show data source
Co: ≤0.0005% expand Show data source
Cr: ≤0.0005% expand Show data source
Cu: ≤0.0005% expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤50 mg/kg expand Show data source
Li: ≤0.0005% expand Show data source
Mg: ≤0.0005% expand Show data source
Mn: ≤0.0005% expand Show data source
Mo: ≤0.0005% expand Show data source
Ni: ≤0.0005% expand Show data source
Pb: ≤0.0005% expand Show data source
Sr: ≤0.0005% expand Show data source
Zn: ≤0.0005% expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
sulfate (SO42-): ≤0.01% expand Show data source
sulfate (SO42-): ≤0.2% expand Show data source
Quality Level
PREMIUM expand Show data source
Linear Formula
(NaO2CCH2)2NCH2CH2N(CH2CO2Na)2·xH2O expand Show data source
(NaOOCCH2)2NCH2CH2N(CH2COONa)2 · 2H2O expand Show data source
(NaOOCCH2)2NCH2CH2N(CH2COONa)2 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ED4SS external link
Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.
Sigma Aldrich - E6511 external link
Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.
Sigma Aldrich - ED4S external link
Preparation Note
室温下溶于水的最大浓度可达 1.45M。该溶液的 pH 值约为 10 至 11,而且粘度较大。
Application
EDTA 为金属蛋白酶抑制剂,有效浓度为 1-10 mM。EDTA 可用作金属蛋白酶活性中心锌离子的螯合剂,并且还可抑制其他依赖金属离子的蛋白酶,例如依赖钙的半胱氨酸蛋白酶。作为抗凝血剂时,通常使用 EDTA 的二钠或三钾盐。最佳浓度为每 mL 血液 1.5mg。
Sigma Aldrich - E5391 external link
Preparation Note
室温下溶于水的最大浓度可达 1.45M。该溶液的 pH 值约为 10 至 11,而且粘度较大。
Application
EDTA 为金属蛋白酶抑制剂,有效浓度为 1-10 mM。EDTA 可用作金属蛋白酶活性中心锌离子的螯合剂,并且还可抑制其他依赖金属离子的蛋白酶,例如依赖钙的半胱氨酸蛋白酶。作为抗凝血剂时,通常使用 EDTA 的二钠或三钾盐。最佳浓度为每 mL 血液 1.5mg。
Sigma Aldrich - E26290 external link
Packaging
10 kg in fiber drum
25, 500 g in poly bottle
3 kg in poly drum
Sigma Aldrich - 03701 external link
Preparation Note
Soluble in water at room temperature up to 1.45 M. The pH of this solution will be approximately 10 to 11 and will be rather viscous.
Application
EDTA is an inhibitor of metalloproteases, at effective concentrations of 1-10 mM. EDTA acts as a chelator of the zinc ion in the active site of metalloproteases, and can also inhibit other metal ion-dependent proteases such as calcium-dependent cysteine proteases. For use as an anticoagulant, disodium or tripotassium salts of EDTA are most commonly used. The optimal concentration is 1.5 mg per ml of blood.
Sigma Aldrich - 09-1510 external link
Preparation Note
Soluble in water at room temperature up to 1.45 M. The pH of this solution will be approximately 10 to 11 and will be rather viscous.
Application
EDTA is an inhibitor of metalloproteases, at effective concentrations of 1-10 mM. EDTA acts as a chelator of the zinc ion in the active site of metalloproteases, and can also inhibit other metal ion-dependent proteases such as calcium-dependent cysteine proteases. For use as an anticoagulant, disodium or tripotassium salts of EDTA are most commonly used. The optimal concentration is 1.5 mg per ml of blood.
Sigma Aldrich - 03695 external link
Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.

REFERENCES

REFERENCES

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PATENTS

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