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Ferrate(4-), Hexakis(Cyano-Κc)-, Ammonium (1:4), (Oc-6-11)-
CAS: 14481-29-9 | C6H16FeN10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14481-29-9
Molecular Formula:
C6H16FeN10
Molecular Mass:
284.11 g/mol
Names and Synonyms:
Ferrate(4-), Hexakis(Cyano-Κc)-, Ammonium (1:4), (Oc-6-11)-
Ferrate(4-), hexakis(cyano-κC)-, ammonium (1:4), (OC-6-11)-
Ferrate(4-), hexacyano-, tetraammonium
Ferrate(4-), hexakis(cyano-C)-, tetraammonium, (OC-6-11)-
Ammonium ferrocyanide
Ammonium hexacyanoferrate(II)
Ferrate(4-), hexakis(cyano-κC)-, tetraammonium, (OC-6-11)-
Ammonium ferrocyanide ((NH4)4[Fe(CN)6])
Tetraammonium hexacyanoferrate
Tetraammonium hexacyanoferrate(4-)
Tetraammonium ferrocyanide
Identifiers:
SMILES:
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[NH4+].[NH4+].[NH4+].[NH4+]
InChI:
InChI=1S/6CN.Fe.4H3N/c6*1-2;;;;;/h;;;;;;;4*1H3/q6*-1;+2;;;;/p+4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.11 g/mol | CAS Common Chemistry |
| 284.109 g/mol | RDKit | |
| 284.09087801199996 g/mol | RDKit | |
| Canonical SMILES | N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N.[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/6CN.Fe.4H3N/c6*1-2;;;;;/h;;;;;;;4*1H3/q6*-1;+2;;;;/p+4 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXQVPEBHZMCRMC-UHFFFAOYSA-R | CAS Common Chemistry |
| Name | Ferrate(4-), hexakis(cyano-κC)-, ammonium (1:4), (OC-6-11)- | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 288.74 Ų | RDKit |
| LogP | 2.0805199999999995 | RDKit |
| Molar Refractivity | 53.74719999999997 | RDKit |
