Back to Search
Ceric Ammonium Nitrate
CAS: 16774-21-3 | H8CeN8O18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16774-21-3
Molecular Formula:
H8CeN8O18
Molecular Mass:
548.22 g/mol
Names and Synonyms:
Ceric Ammonium Nitrate
Cerate(2-), hexakis(nitrato-κO)-, ammonium (1:2), (OC-6-11)-
Cerate(2-), hexanitrato-, diammonium
Cerate(2-), hexakis(nitrato-O)-, diammonium, (OC-6-11)-
Ammonium hexanitratocerate(IV)
Cerate(2-), hexakis(nitrato-κO)-, diammonium, (OC-6-11)-
Ammonium hexanitratocerate
Diammonium hexanitratocerate
Diammonium hexanitratocerate(2-)
Diammonium cerium hexanitrate
Cerium diammonium hexanitrate
NSC 215187
NSC 4313
Diammonium cerium (IV) nitrate
Identifiers:
SMILES:
N.N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+4].[O-][N+](O)=[OH+]
InChI:
InChI=1S/Ce.6NO3.2H3N/c;6*2-1(3)4;;/h;;;;;;;2*1H3/q+4;6*-1;;/p+2
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 | 548.22 g/mol | CAS Common Chemistry |
| 548.2180000000002 g/mol | RDKit | |
| 547.901094116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ceric_ammonium_nitrate | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)[O-][Ce+4]([O-]N(=O)=O)([O-]N(=O)=O)([O-]N(=O)=O)([O-]N(=O)=O)[O-]N(=O)=O.[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/Ce.6NO3.2H3N/c;6*2-1(3)4;;/h;;;;;;;2*1H3/q+4;6*-1;;/p+2 | CAS Common Chemistry |
| InChI Key | InChIKey=XMPZTFVPEKAKFH-UHFFFAOYSA-P | CAS Common Chemistry |
| Name | Diammonium cerium hexanitrate | CAS Common Chemistry |
| Ceric ammonium nitrate | CAS Common Chemistry | |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 18 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 468.69999999999993 Ų | RDKit |
| LogP | -1.4294999999999984 | RDKit |
| Molar Refractivity | 69.20089999999996 | RDKit |
