FERRATE(1-),[[N,N'-1,3-PROPANEDIYLBIS[N-(CARBOXYMETHYL)GLYCINATO]](4-)-N,N',O,O',ON,ON']-, AMMONIUM, (OC-6-21)-

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID8029573

Structure

InChI Key ZSXFRUUGTUCHNM-UHFFFAOYSA-K
Smiles [NH4+].[Fe+3].[O-]C(=O)CN(CCCN(C([O-])=O)C([O-])=O)C([O-])=O
InChI
InChI=1S/C8H12N2O8.Fe.H3N/c11-5(12)4-9(6(13)14)2-1-3-10(7(15)16)8(17)18;;/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;1H3/q;+3;/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12FeN3O8
Molecular Weight 334.0
AlogP -3.75
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 199.17
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 111687-36-6
NORMAN SUSDAT
PubChem 22833421
CONTENTS