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Molecule
Ceric Ammonium Nitrate
CAS: 16774-21-3 · H8CeN8O18
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16774-21-3
- Molecular Formula
- H8CeN8O18
- Molecular Mass
- 548.22 g/mol
Identifiers
CAS Registry Number
16774-21-3
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 Key
XMPZTFVPEKAKFH-UHFFFAOYSA-P
InChI
InChI=1S/Ce.6NO3.2H3N/c;6*2-1(3)4;;/h;;;;;;;2*1H3/q+4;6*-1;;/p+2
Names and Synonyms
- Ceric Ammonium Nitrate Common Name
- Cerate(2-), hexakis(nitrato-κO)-, ammonium (1:2), (OC-6-11)- Synonym
- Cerate(2-), hexanitrato-, diammonium Synonym
- Cerate(2-), hexakis(nitrato-O)-, diammonium, (OC-6-11)- Synonym
- Ammonium hexanitratocerate(IV) Synonym
- Cerate(2-), hexakis(nitrato-κO)-, diammonium, (OC-6-11)- Synonym
- Ammonium hexanitratocerate Synonym
- Diammonium hexanitratocerate Synonym
- Diammonium hexanitratocerate(2-) Synonym
- Diammonium cerium hexanitrate Synonym
- Cerium diammonium hexanitrate Synonym
- NSC 215187 Synonym
- NSC 4313 Synonym
- Diammonium cerium (IV) nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 548.22 g/mol | CAS Common Chemistry |
| 548.2180000000002 g/mol | RDKit | |
| 548.218 g/mol | RDKit | |
| 555.274 g/mol | chempirical lib | |
| 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 |
| 468.7 Ų | RDKit | |
| LogP | -1.4294999999999984 | RDKit |
| -1.4295 | RDKit | |
| Molar Refractivity | 69.20089999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 547.901094116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 548.22 g/mol. Edit any field — others recompute live.
