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10378-22-0 molecular structure
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trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate

ChemBase ID: 103243
Molecular Formular: C10H15N2Na3O9
Molecular Mass: 376.20341
Monoisotopic Mass: 376.04706291
SMILES and InChIs

SMILES:
O.[Na+].[Na+].[Na+].OC(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
Canonical SMILES:
[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)O)CC(=O)[O-].O.[Na+].[Na+].[Na+]
InChI:
InChI=1S/C10H16N2O8.3Na.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;3*+1;/p-3
InChIKey:
KKTNQJMZBPLVKM-UHFFFAOYSA-K

Cite this record

CBID:103243 http://www.chembase.cn/molecule-103243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate
IUPAC Traditional name
trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate
tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate
Synonyms
EDTA trisodium salt
Ethylenediaminetetraacetic acid trisodium salt hydrate
(Ethylenedinitrilo)tetraacetic acid trisodium salt hydrate
Edathamil hydrate
EDTA trisodium salt hydrate
Celon A
Endrate
(Ethylenedinitrilo)tetraacetic acid trisodium salt
Edathamil
ETHYLENEDIAMINETETRAACETIC ACID
EDTA Triasodium salt
Edetic acid
Tricon BW
EDTA 三钠盐
亚乙基二次氮基四乙酸 三钠盐
乙二胺四乙酸 三钠盐 水合物
EDTA 三钠盐 水合物
CAS Number
10378-22-0
85715-60-2
EC Number
200-449-4
205-758-8
MDL Number
MFCD00149675
PubChem SID
24846730
162103000
24894709
PubChem CID
16211179

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211179 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: soluble, clear, colorless to light yellow expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
250 °C with decomposition expand Show data source
Flash Point
> 100 °C (closed cup and DIN 51758) expand Show data source
Auto Ignition Point
> 200 °C (DIN 51794) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
AH4025000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38-58 expand Show data source
Safety Statements
26-36 expand Show data source
S:20-25-26-29-29-37/39-61 expand Show data source
EU Classification
M7 expand Show data source
EU Hazard Identification Number
13 expand Show data source
Emergency Response Guidebook(ERG) Number
171 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
≥95% expand Show data source
95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(NaO2CCH2)2NCH2CH2N(CH2CO2Na)CH2CO2H·xH2O expand Show data source
Empirical Formula (Hill Notation)
C10H13N2Na3O8 · xH2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151088 external link
Trisodium Salt
Monohydrate
Crystalline
Purity: 98%
Actually a physical blend of EDTA disodium and EDTA tetrasodium.
Sigma Aldrich - ED3SS external link
Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.
Other Notes
This is a physical blend of the disodium and tetrasodium salts of EDTA.
Sigma Aldrich - 106321 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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