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Molecule
Tetraamminepalladium Dichloride
CAS: 13815-17-3 · H12Cl2N4Pd
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13815-17-3
- Molecular Formula
- H12Cl2N4Pd
- Molecular Mass
- 245.45 g/mol
Identifiers
CAS Registry Number
13815-17-3
SMILES
N.N.N.N.[Cl-].[Cl-].[Pd+2]
InChI Key
AQBOUNVXZQRXNP-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.4H3N.Pd/h2*1H;4*1H3;/q;;;;;;+2/p-2
Names and Synonyms
- Tetraamminepalladium Dichloride Synonym
- Palladium(2+), tetraammine-, chloride (1:2), (SP-4-1)- Synonym
- Palladium(2+), tetraammine-, dichloride Synonym
- Palladium(2+), tetraammine-, dichloride, (SP-4-1)- Synonym
- Tetraamminepalladium dichloride Synonym
- Tetraamminepalladium(2+) dichloride Synonym
- Tetramminepalladium(2+) dichloride Synonym
- Tetraamminepalladium(II) chloride Synonym
- Tetraamine palladium(II) dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.45 g/mol | CAS Common Chemistry |
| 249.476 g/mol | chempirical lib | |
| 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 |
| -5.3465 | RDKit | |
| Molar Refractivity | 20.088400000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 243.94738774399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 245.45 g/mol. Edit any field — others recompute live.
