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Ethylenediaminetetraacetic acid tetra(ethanolamine) salt

HCID 65506
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Basic information

CAS
53404-52-7
Standard SMILES
NCCO.NCCO.NCCO.NCCO.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIKey
FWJJTGXGFKILGS-UHFFFAOYSA-N
Molecular formula
C18H44N6O12
Average molar mass
536.6 g/mol
Monoisotopic mass
536.30172086

Names & identifiers

Preferred name
Ethylenediaminetetraacetic acid tetra(ethanolamine) salt
IUPAC
tetrakis(2-aminoethanol);2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid

Names & synonyms

Ethylenediaminetetraacetic acid tetra(ethanolamine) salt53404-52-7Tetra(ethanolamine) ethylenediaminetetraacetateSCHEMBL1834374DTXSID7058414EDTA with 2-aminoethanol (1:4)CCG-2125952,2',2'',2'''-(Ethane-1,2-diyldinitrilo)tetraacetic acid--2-aminoethan-1-ol (1/4)

Database identifiers

CAS
53404-52-7
PubChem CID
65506
DTXSID
DTXSID7058414

Properties

Computed structural properties

Topological polar surface area
341 Ų
Hydrogen bond donors
12
Hydrogen bond acceptors
18
Rotatable bonds
15
Heavy atoms
36
Formal charge
0
Complexity
325

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