Ethylenediamine-N,N'-diacetic acid

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Catalog Number
ACM5657170-1
Product Name
Ethylenediamine-N,N'-diacetic acid
Structure
Structure
CAS
5657-17-0
Category
Heterocyclic Organic Compound
Description
Ethylenediaminediacetic acid is an ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups. It has a role as a chelator and a bacterial xenobiotic metabolite. It is an ethylenediamine derivative, a glycine derivative, a polyamino carboxylic acid and an amino dicarboxylic acid. It is a conjugate acid of an ethylenediaminediacetate(1-).
Synonyms
N,N'-Ethylenediglycine
IUPAC Name
2-[2-(Carboxymethylamino)ethylamino]acetic acid
Molecular Weight
176.17
Molecular Formula
C6H12N2O4
Canonical SMILES
C(CNCC(=O)O)NCC(=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)
InChI Key
IFQUWYZCAGRUJN-UHFFFAOYSA-N
Boiling Point
357ºC
Melting Point
224 °C
Flash Point
203.7ºC
Density
1.31 g/mL
Appearance
White powder.
Application
Ethylenediamine-N,N'-diacetic acid (EDDA) is a chelating agent that can be used to synthesize:
Binary and ternary copper(II) complexes with potent proteasome inhibitory properties.
Pd(EDDA) complexes which can coordinate with amino acids, peptides, or DNA units.
Storage
Store at 2-8 ℃
Complexity
142
Covalently-Bonded Unit Count
1
EC Number
227-105-6
Exact Mass
176.08
Hazard Codes
Xi: Irritant;
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
6
H-Bond Donor
4
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
4
MDL Number
MFCD00004281
Monoisotopic Mass
176.07970687
Physical State
Solid
PSA
98.66
Refractive Index
1.509
Rotatable Bond Count
7
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Topological Polar Surface Area
98.7Å2
WGK Germany
3
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