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139-89-9 molecular structure
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trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate

ChemBase ID: 131618
Molecular Formular: C10H15N2Na3O7
Molecular Mass: 344.20461
Monoisotopic Mass: 344.05723367
SMILES and InChIs

SMILES:
C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+].[Na+].[Na+]
Canonical SMILES:
OCCN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChI:
InChI=1S/C10H18N2O7.3Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3
InChIKey:
WHNXAQZPEBNFBC-UHFFFAOYSA-K

Cite this record

CBID:131618 http://www.chembase.cn/molecule-131618.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}(2-hydroxyethyl)amino)acetate
IUPAC Traditional name
trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate
Synonyms
HEDTA-Na3
HEEDTA
N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium salt hydrate
N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium salt
N-{2[Bis(carboxymethyl)amino]ethyl}-N-(2-hydroxyethyl)glycine trisodium salt
Trisodium N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate hydrate
Trisodium N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate solution
N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium salt solution
N-{2[Bis(羧甲基)氨基]乙基}-N-(2-羟乙基)甘氨酸 三钠盐
羟乙基乙二胺三乙酸三钠盐 水合物
N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸 三钠盐 水合物
N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸 三钠盐
N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸三钠 溶液
N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸 三钠盐 溶液
CAS Number
139-89-9
207386-87-6
EC Number
205-381-9
MDL Number
MFCD00043341
PubChem SID
24878597
24861266
162225895
PubChem CID
8772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.87727237  H Acceptors
H Donor LogD (pH = 5.5) -7.806957 
LogD (pH = 7.4) -11.070943  Log P -5.0713086 
Molar Refractivity 95.0646 cm3 Polarizability 24.317133 Å3
Polar Surface Area 147.1 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
German water hazard class
2 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
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
~99% (titration) expand Show data source
≥97.0% (KT) expand Show data source
≥99.0% expand Show data source
≥99.0% (calc. on anhydrous substance, complexometric) expand Show data source
Concentration
~35% in H2O (T) expand Show data source
Grade
for complexometry expand Show data source
purum expand Show data source
Impurities
≤0.005% heavy metals (as Pb) expand Show data source
≤12.5% water (Karl Fischer) expand Show data source
≤15% water expand Show data source
Cation Traces
Fe: ≤0.005% expand Show data source
Linear Formula
HOCH2CH2N(CH2COONa)CH2CH2N(CH2COONa)2 expand Show data source
Empirical Formula (Hill Notation)
C10H15N2Na3O7 expand Show data source
C10H15N2Na3O7 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 34461 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 54230 external link
General description
Visit our Titration Center to learn more.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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