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Molecule
Tetraamminepalladium Dinitrate
CAS: 13601-08-6 · H12N5O3Pd+
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13601-08-6
- Molecular Formula
- H12N5O3Pd+
- Molecular Mass
- 236.55 g/mol
Identifiers
CAS Registry Number
13601-08-6
SMILES
N.N.N.N.O=[N+]([O-])[O-].[Pd+2]
InChI Key
JHJQMCVUMWHJJU-UHFFFAOYSA-N
InChI
InChI=1S/NO3.4H3N.Pd/c2-1(3)4;;;;;/h;4*1H3;/q-1;;;;;+2
Names and Synonyms
- Tetraamminepalladium Dinitrate Common Name
- Palladium(2+), tetraammine-, (SP-4-1)-, nitrate (1:2) Synonym
- Palladium(2+), tetraammine-, (SP-4-1)-, dinitrate Synonym
- Tetraamminepalladium dinitrate Synonym
- Tetraamminepalladium(2+) dinitrate Synonym
- Tetraamminedinitratopalladium Synonym
- Tetraamminepalladium nitrate Synonym
- Palladium(II) nitrate tetraamine Synonym
- Tetraaminepalladium dinitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.55 g/mol | CAS Common Chemistry |
| 236.548 g/mol | RDKit | |
| 240.58 g/mol | chempirical lib | |
| Canonical SMILES | O=N(=O)[O-].[NH3][Pd+2]([NH3])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/NO3.4H3N.Pd/c2-1(3)4;;;;;/h;4*1H3;/q-1;;;;;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=JHJQMCVUMWHJJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetraamminepalladium dinitrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 206.2 Ų | RDKit |
| LogP | 0.40639999999999993 | RDKit |
| 0.4064 | RDKit | |
| Molar Refractivity | 30.44980000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 235.99695166408998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| 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 = 236.55 g/mol. Edit any field — others recompute live.
