Cas no 15162-64-8 (Ferrate(3-),[N,N-bis[2-[[(carboxy-kO)methyl](carboxymethyl)amino-kN]ethyl]glycinato(5-)-kN,kO]-, trihydrogen (9CI))

Ferrate(3-),[N,N-bis[2-[[(carboxy-kO)methyl](carboxymethyl)amino-kN]ethyl]glycinato(5-)-kN,kO]-, trihydrogen (9CI) structure
15162-64-8 structure
Product Name:Ferrate(3-),[N,N-bis[2-[[(carboxy-kO)methyl](carboxymethyl)amino-kN]ethyl]glycinato(5-)-kN,kO]-, trihydrogen (9CI)
CAS No:15162-64-8
MF:C14H21FeN3O10
MW:447.175645589828
CID:162077
PubChem ID:3081435
Update Time:2025-04-19

Ferrate(3-),[N,N-bis[2-[[(carboxy-kO)methyl](carboxymethyl)amino-kN]ethyl]glycinato(5-)-kN,kO]-, trihydrogen (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ferrate(3-),[N,N-bis[2-[[(carboxy-kO)methyl](carboxymethyl)amino-kN]ethyl]glycinato(5-)-kN,kO]-, trihydrogen (9CI)
    • 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate,hydron,iron(2+)
    • DTPA ferric chelate
    • Ferrate(3-), (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, trihydrogen
    • Ferric diethylenetriamine-N,N,N',N'',N''-pentaacetate
    • Ferric dtpa
    • Ferric-diethylene triaminepentaacetate
    • iron(2+) trihydrogen 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate
    • 15162-64-8
    • Inchi: 1S/C14H23N3O10.Fe/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+2/p-2
    • InChI Key: RASZKSWRZUIIQJ-UHFFFAOYSA-L
    • SMILES: [Fe+2].[O-]C(CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])=O.[H+].[H+].[H+]

Computed Properties

  • Exact Mass: 447.058
  • Monoisotopic Mass: 447.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 11
  • Complexity: 454
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 210?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 721.1°Cat760mmHg
  • Flash Point: 389.9°C
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