Ferrocholinate

CAS Registry Number®

1336-80-7

CAS Name

Ferrocholinate

Molecular Formula

C6H10FeO10.C5H14NO

Cite this Page

Ferrocholinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1336-80-7 (retrieved 2024-11-22) (CAS RN: 1336-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H7O7.C5H14NO.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;;3*1H2/q-1;+1;+3;;;/p-3

InChIKey

InChIKey=UQSASSBWRKBREL-UHFFFAOYSA-K

SMILES

[OH2][Fe+3]12([OH2])([OH2])[O-]C(CC([O-])=O)(C(=O)[O-]1)CC(=O)[O-]2.C([N+](C)(C)C)CO

Canonical SMILES

O=C([O-])CC12[O-][Fe+3]([O-]C(=O)C1)([O-]C2=O)([OH2])([OH2])[OH2].OCC[N+](C)(C)C

Other Names for this Substance

  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, (OC-6-44)-triaqua[2-(hydroxy-κO)-1,2,3-propanetricarboxylato(4-)-κO1,κO2]ferrate(1-) (1:1)
  • Ferrocholinate
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, (OC-6-44)-triaqua[2-hydroxy-1,2,3-propanetricarboxylato(4-)]ferrate(1-)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, (OC-6-44)-triaqua[2-(hydroxy-κO)-1,2,3-propanetricarboxylato(4-)-κO1,κO2]ferrate(1-)
  • Ferrate(1-), triaqua[2-hydroxy-1,2,3-propanetricarboxylato(4-)]-, (OC-6-44)-, 2-hydroxy-N,N,N-trimethylethanaminium

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Deleted or Replaced CAS Registry Numbers

7704-33-8, 10450-51-8, 13497-33-1, 14123-06-9, 52692-70-3, 53457-66-2, 87794-97-6

CAS INSIGHTSTM
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