Ferrate(1-), [[N,N′-1,2-Ethanediylbis[N-[(Carboxy-Κo)Methyl]Glycinato-Κn,Κo]](4-)]-, Ammonium (1:1), (Oc-6-21)-

CAS: 21265-50-9 · C10H16FeN3O8

2D Structure

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CAS Registry Number

21265-50-9

SMILES

N.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Fe+3]

InChI Key

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

Ferrate(1-), [[N,N′-1,2-Ethanediylbis[N-[(Carboxy-Κo)Methyl]Glycinato-Κn,Κo]](4-)]-, Ammonium (1:1), (Oc-6-21)- Synonym
Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, ammonium (1:1), (OC-6-21)- Synonym
Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, ammonium Synonym
Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, ammonium, (OC-6-21)- Synonym
Ammonium (ethylenediaminetetraacetato)iron(III) Synonym
Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, ammonium, (OC-6-21)- Synonym
Ammonium iron(3+) ethylenediaminetetraacetate Synonym
Ferric ammonium ethylenediaminetetraacetate Synonym
Ammonium ferric ethylenediaminetetraacetate Synonym
EDTA ferric ammonium Synonym

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	362.10 g/mol	CAS Common Chemistry
	362.0960000000001 g/mol	RDKit
	362.096 g/mol	RDKit
	367.136 g/mol	chempirical lib
Canonical SMILES	O=C1[O-][Fe+3]2345[O-]C(=O)C[N]5(C1)CC[N]4(CC(=O)[O-]2)CC(=O)[O-]3.[NH4+]	CAS Common Chemistry
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	CAS Common Chemistry
InChI Key	InChIKey=XNSQZBOCSSMHSZ-UHFFFAOYSA-K	CAS Common Chemistry
Name	Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, ammonium (1:1), (OC-6-21)-	CAS Common Chemistry
Heavy Atom Count	22	RDKit
Hydrogen Bond Acceptors	10	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	11	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	199.16999999999996 Å²	RDKit
	199.17 Å²	RDKit
LogP	-5.915799999999994	RDKit
	-5.9158	RDKit
Molar Refractivity	60.558900000000015 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.6	RDKit
Exact Mass	362.0286769719999 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 362.10 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)