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Tetraamminepalladium Dichloride
CAS: 13815-17-3 | H12Cl2N4Pd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13815-17-3
Molecular Formula:
H12Cl2N4Pd
Molecular Mass:
245.45 g/mol
Names and Synonyms:
Tetraamminepalladium Dichloride
Palladium(2+), tetraammine-, chloride (1:2), (SP-4-1)-
Palladium(2+), tetraammine-, dichloride
Palladium(2+), tetraammine-, dichloride, (SP-4-1)-
Tetraamminepalladium dichloride
Tetraamminepalladium(2+) dichloride
Tetramminepalladium(2+) dichloride
Tetraamminepalladium(II) chloride
Tetraamine palladium(II) dichloride
Identifiers:
SMILES:
N.N.N.N.[Cl-].[Cl-].[Pd+2]
InChI:
InChI=1S/2ClH.4H3N.Pd/h2*1H;4*1H3;/q;;;;;;+2/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 | 245.45 g/mol | CAS Common Chemistry |
| 243.94738774399997 g/mol | RDKit | |
| Canonical SMILES | [Cl-].[NH3][Pd+2]([NH3])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.4H3N.Pd/h2*1H;4*1H3;/q;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=AQBOUNVXZQRXNP-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Tetraamminepalladium dichloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 140.0 Ų | RDKit |
| LogP | -5.346500000000002 | RDKit |
| Molar Refractivity | 20.088400000000007 | RDKit |
