chempirical

Ammonium ferric edetate

C10H16FeN3O8CAS 21265-50-9362.10 g/mol

Open in Covalent MOL file
NH3OO−NNOO−OOHOO−Fe3+
Carboxylic acidTertiary amine

Properties

Molecular formula
C10H16FeN3O8
Molar mass
362.10 g/mol
Exact mass
362.0287 Da
logP
-5.92Crippen estimate
Polar surface area
199.2 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
11

Hazards

Not classified as hazardous under GHS by 169 ECHA notifiers. Aggregated from 169 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
21265-50-9
SMILES
N.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Fe+3]
InChIKey
XNSQZBOCSSMHSZ-UHFFFAOYSA-K
InChI
InChI=1S/C10H16N2O8.Fe.H3N/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);;1H3/q;+3;/p-3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, ammonium (1:1), (oc-6-21)-
  • Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, ammonium
  • Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, ammonium, (OC-6-21)-
  • Ammonium (ethylenediaminetetraacetato)iron(III)
  • Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, ammonium, (OC-6-21)-
  • Ammonium iron(3+) ethylenediaminetetraacetate
  • Ferric ammonium ethylenediaminetetraacetate
  • Ammonium ferric ethylenediaminetetraacetate
  • EDTA ferric ammonium

Work with Ammonium ferric edetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethylenediaminetetraacetic acid60-00-4Free acid Disodium ethylenediaminetetraacetate139-33-3Salt Tetrasodium EDTA64-02-8Salt Ferric sodium EDTA15708-41-5Salt Calcium disodium EDTA62-33-9Salt Trisodium EDTA150-38-9Salt Disodium zinc EDTA14025-21-9Salt Disodium zinc EDTA39208-16-7Salt Copper disodium EDTA14025-15-1Salt Magnesium disodium EDTA14402-88-1Salt Disodium manganese EDTA15375-84-5Salt Dipotassium EDTA2001-94-7Salt

Similar compounds

Gd-DTPA80529-93-773 % similar Gadoteric acid72573-82-170 % similar Disodium nitrilotriacetate15467-20-662 % similar Gadodiamide131410-48-556 % similar Pentetic acid67-43-655 % similar Triethylenetetraminehexaacetic acid869-52-355 % similar Dota (chelator)60239-18-152 % similar Pentasodium pentetate140-01-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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