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20824-56-0 molecular structure
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2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid diamine

ChemBase ID: 156799
Molecular Formular: C10H22N4O8
Molecular Mass: 326.30368
Monoisotopic Mass: 326.14376368
SMILES and InChIs

SMILES:
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N
Canonical SMILES:
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.N.N
InChI:
InChI=1S/C10H16N2O8.2H3N/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*1H3
InChIKey:
KYQODXQIAJFKPH-UHFFFAOYSA-N

Cite this record

CBID:156799 http://www.chembase.cn/molecule-156799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid diamine
IUPAC Traditional name
edta diamine
Synonyms
Diammonium ethylenediaminetetraacetate
Ethylenediaminetetraacetic acid diammonium salt
乙二胺四乙酸二铵
乙二胺四乙酸 二铵盐
CAS Number
20824-56-0
EC Number
244-063-4
MDL Number
MFCD00036454
Beilstein Number
7785165
PubChem SID
24845523
162250936
PubChem CID
13847684

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13847684 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 62.3456 cm3 Polarizability 24.69443 Å3
Polar Surface Area 155.68 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
Absorption Wavelength
λ: 260 nm Amax: 0.135 expand Show data source
λ: 280 nm Amax: 0.022 expand Show data source
pH
4.0-5.0 (25 °C, 0.1 M in H2O) expand Show data source
4.0-5.0 (25 °C, 50 mg/mL in H2O) expand Show data source
RTECS
MC0366000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% expand Show data source
≥99.0% (KT) expand Show data source
≥99.5% (KT) expand Show data source
Grade
for complexometry expand Show data source
Impurities
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 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
K: ≤50 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: ≤500 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-): ≤50 mg/kg expand Show data source
Loss on Drying
≤0.5% loss on drying, 110 °C expand Show data source
λ
0.1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
(NH4OOCCH2)2NCH2CH2N(CH2COOH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 03640 external link
General description
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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