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139-33-3 molecular structure
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disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate

ChemBase ID: 130893
Molecular Formular: C10H14N2Na2O8
Molecular Mass: 336.2063
Monoisotopic Mass: 336.05455398
SMILES and InChIs

SMILES:
C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
Canonical SMILES:
[O-]C(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/C10H16N2O8.2Na/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*+1/p-2
InChIKey:
ZGTMUACCHSMWAC-UHFFFAOYSA-L

Cite this record

CBID:130893 http://www.chembase.cn/molecule-130893.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate
IUPAC Traditional name
disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate
Synonyms
Ethylenediaminetetraacetic acid disodium salt, 0.115N (0.0575M) Standardized solution
Ethylenediaminetetraacetic acid disodium salt, 0.200N (0.1M) Standardized solution
Ethylenediaminetetraacetic acid disodium salt, 0.100N (0.050M) Standardized solution
EDTA-Na2
Ethylenediaminetetraacetic acid disodium salt solution
(Ethylenedinitrilo)tetraacetic acid disodium salt
EDTA disodium salt
Ethylenediaminetetraacetic acid disodium salt solution
Ethylenediamine-tetraacetic acid disodium salt concentrate
Ethylenediaminetetraacetic acid disodium salt concentrate
乙二胺四乙酸二钠盐, 0.115N (0.0575M) 标准溶液
乙二胺四乙酸二钠盐, 0.200N (0.1M) 标准溶液
乙二胺四乙酸二钠盐, 0.100N (0.050M) 标准溶液
EDTA 二钠盐
四乙酸二氨基乙烯 二钠盐
乙二胺四乙酸 二钠盐 溶液
IDRANAL™ III 标准品 溶液
IDRANAL™ 100
乙二胺四乙酸二钠盐标准品 溶液
IDRANAL™ III 标准溶液
乙二胺四乙酸 二钠盐 溶液
乙二胺四乙酸二钠盐浓缩液
CAS Number
139-33-3
EC Number
231-791-2
205-358-3
MDL Number
MFCD00070672
Beilstein Number
3822669
PubChem SID
24858873
24861746
162225171
24857189
24861328
24866981
24863752
24861316
24869745
24894660
24858874
PubChem CID
8759

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 84.0198 cm3 Polarizability 24.457794 Å3
Polar Surface Area 161.34 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
solution expand Show data source
Boiling Point
>100 °C expand Show data source
Density
1.003 g/mL at 25 °C expand Show data source
1.01 g/mL at 25 °C expand Show data source
1.02 g/mL at 25 °C expand Show data source
RTECS
AH4375000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 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
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.0095-0.0110 M (Exact value stated on label) expand Show data source
0.01 M expand Show data source
0.01 M EDTA-Na2 expand Show data source
0.01 M EDTA-Na2 in H2O expand Show data source
0.02 M expand Show data source
0.05 M expand Show data source
0.05 M EDTA-Na2 expand Show data source
0.1 M expand Show data source
0.1 M EDTA-Na2 expand Show data source
0.1 M EDTA-Na2 (0.2N) expand Show data source
0.2 M EDTA-Na2 expand Show data source
0.5 M in H2O expand Show data source
2% expand Show data source
Grade
for complexometry expand Show data source
for molecular biology expand Show data source
for water hardness determination (1 ml = 1 German degree of hardness in 100 ml of water) expand Show data source
Reag. Ph. Eur. expand Show data source
Packaging
pkg of 0.1 mol expand Show data source
Foreign Activity
DNase, RNase, NICKase and protease, none detected expand Show data source
Sterility
0.2 μm filtered expand Show data source
Clinical
for in vitro diagnostic use expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Quality Level
PREMIUM expand Show data source
Quality
(37.224 g C10H14N2Na2O8•2H2O, 0.1 mol) expand Show data source
ampule expand Show data source
volumetric expand Show data source
Factor
1.000 ±0.005 expand Show data source
Linear Formula
[-CH2N(CH2CO2Na)CH2CO2H]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 318892 external link
General description
Visit our Titration Center to learn more.
Packaging
2 L in poly bottle
500 mL in poly bottle
Sigma Aldrich - 318884 external link
General description
Visit our Titration Center to learn more.
Packaging
2 L in poly bottle
500 mL in poly bottle
Sigma Aldrich - 34550 external link
General description
Visit our Titration Center to learn more.
Packaging
The suffix -VP or -VOLPAC in the product number indicates packaging in 5 or 10 L VOLPAC containers.
Sigma Aldrich - 35322 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 34543 external link
Application
Reagents for complexometric determination of water hardness see also AQUANAL™-plus
General description
Visit our Titration Center to learn more.
Legal Information
AQUANAL is a trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 38057 external link
General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.1mol/L; amount of substance 0.1mol (37.224 g C10H14N2Na2O8 · 2H2O)
Sigma Aldrich - 433802 external link
General description
Visit our Titration Center to learn more.
Packaging
2 L in poly bottle
500 mL in poly bottle
Sigma Aldrich - 35102 external link
General description
Visit our Titration Center to learn more.
Packaging
The suffix -VP or -VOLPAC in the product number indicates packaging in 5 or 10 L VOLPAC containers.
Sigma Aldrich - 46081 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
General description
concentration after dilution to 1L: 0.1mol/L; amount of substance 0.1mol (37.224 g C10H14N2Na2O8 · 2H2O)
Sigma Aldrich - E7889 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Preparation Note
用分子生物学试剂 EDTA (E 5134) 在 18 兆欧水中制备
Sigma Aldrich - 09-1480 external link
Suitability
for the determination of water hardness 1mL=0.5mg CaO

REFERENCES

REFERENCES

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PATENTS

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