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Tetraamminepalladium Dinitrate
CAS: 13601-08-6 | H12N5O3Pd+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13601-08-6
Molecular Formula:
H12N5O3Pd+
Molecular Mass:
236.55 g/mol
Names and Synonyms:
Tetraamminepalladium Dinitrate
Palladium(2+), tetraammine-, (SP-4-1)-, nitrate (1:2)
Palladium(2+), tetraammine-, (SP-4-1)-, dinitrate
Tetraamminepalladium dinitrate
Tetraamminepalladium(2+) dinitrate
Tetraamminedinitratopalladium
Tetraamminepalladium nitrate
Palladium(II) nitrate tetraamine
Tetraaminepalladium dinitrate
Identifiers:
SMILES:
N.N.N.N.O=[N+]([O-])[O-].[Pd+2]
InChI:
InChI=1S/NO3.4H3N.Pd/c2-1(3)4;;;;;/h;4*1H3;/q-1;;;;;+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 | 236.55 g/mol | CAS Common Chemistry |
| 236.548 g/mol | RDKit | |
| 235.99695166408998 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 30.44980000000002 | RDKit |
