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CAT: 0127-BIE0729-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0127-BIE0729-02Size:1 Kg
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CAS Number
60-00-4
Synonyms
Ethylenediaminetetraacetic acid
MDL Number
MFCD00003541
Purity
>99%
Smiles
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Chemical Information

Ethylenediaminetetraacetic Acid

Ethylenediaminetetraacetic acid is an ethylenediamine derivative, a tetracarboxylic acid and a polyamino carboxylic acid. It has a role as a copper chelator, a geroprotector, a calcium chelator, an antidote and an anticoagulant. It is a conjugate acid of an EDTA(2-).

CAS Number60-00-4
PubChem CID6049
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
Molecular FormulaC10H16N2O8
Molecular Weight292.24
XLogP-5.9
Topological Polar Surface Area156
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H16N2O8/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)
InChIKey
KCXVZYZYPLLWCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethylenediaminetetraacetic Acid
CAS: 60-00-4
CID: 6049
Formula: C10H16N2O8
MW: 292.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.24
XLogP3-5.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass292.09066547
Monoisotopic Mass292.09066547
Topological Polar Surface Area156 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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