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5657-17-0 molecular structure
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2-({2-[(carboxymethyl)amino]ethyl}amino)acetic acid

ChemBase ID: 103367
Molecular Formular: C6H12N2O4
Molecular Mass: 176.17048
Monoisotopic Mass: 176.07970687
SMILES and InChIs

SMILES:
OC(=O)CNCCNCC(=O)O
Canonical SMILES:
OC(=O)CNCCNCC(=O)O
InChI:
InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
InChIKey:
IFQUWYZCAGRUJN-UHFFFAOYSA-N

Cite this record

CBID:103367 http://www.chembase.cn/molecule-103367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-({2-[(carboxymethyl)amino]ethyl}amino)acetic acid
IUPAC Traditional name
({2-[(carboxymethyl)amino]ethyl}amino)acetic acid
Synonyms
N,N′-Ethylenediglycine
Ethylenediamine-N,N′-diacetic acid
EDDA
N,N'-Ethylenediglycine
ETHYLENEDIAMINE-N,N'-DIACETIC ACID
N,N′-乙烯二甘氨酸
乙二胺-N,N′-二乙酸
CAS Number
5657-17-0
EC Number
227-105-6
MDL Number
MFCD00004281
Beilstein Number
1778355
PubChem SID
24849722
24845511
162090589
PubChem CID
61975

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 61975 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.357033  H Acceptors
H Donor LogD (pH = 5.5) -6.3798394 
LogD (pH = 7.4) -6.866511  Log P -6.3710794 
Molar Refractivity 39.587 cm3 Polarizability 16.018621 Å3
Polar Surface Area 98.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
215-225 °C (dec.) expand Show data source
224 °C (dec.)(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
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
3 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
Purity
≥98% expand Show data source
≥98.0% (T) expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
≤0.2% expand Show data source
Linear Formula
HOOCCH2NHCH2CH2NHCH2COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151519 external link
White crystalline powder
Readily soluble in water
Acts as a chelating agent.
Sigma Aldrich - 158186 external link
Application
Chelating agent
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Thompson, L.C., J. Inorg. Nucl. Chem., 24: 1083 (1962).
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PATENTS

PATENTS

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INTERNET

INTERNET

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