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Reference substances

Reference substances

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General information

Inventory

EC number:
400-660-3
EC name:
Ammonium iron(III) trimethylenediaminetetraacetate hemihydrate
CAS number:
-
Description:
AMMONIUM-EISEN-PDTA; AMMONIUM-IRON-PDTA; COMPLEX OF CHELATING AGENT NO. 1; DISSOLVINE FD-FE-14; DISSOLVINE PD-FE-14; PDTA-FN; RAZ; SEL COMPLEXE D'AGENT CHELATANT KODAK NO. 1

No inventory information available

Reference substance information

IUPAC name:
iron(3+) ammonium 2-({3-[bis(carboxymethyl)amino]propyl}(carboxymethyl)amino)acetate hydrate
Synonyms
Names:
1,3-Propylenediamine-N,N,N',N'-tetraacetic acid ammonium iron(+3) salt [Dutch c.a.: Ferrate (1-), [(N,N'-1,3-propanediylbis-(N- (carboxymethyl)glycinato)) (4-)-N,N',O,O',ON,ON')-ammonium]

CAS information

CAS number:
111687-36-6

Molecular and structural information

Molecular formula:
Hill formula: C11 H18 Fe N3 O8
CAS formula: C11 H14 Fe N2 O8.H4N
Molecular weight:
376
SMILES notation:
C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[Fe+3]
InChl:
1S/C11H18N2O8.Fe.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19) 7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+3;/p-3
Structural formula:
Chemical structure