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Molecule
Palladium(2+), Tetraammine-, Dichloride, Monohydrate, (Sp-4-1)-
CAS: 13933-31-8 · H14Cl2N4OPd
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13933-31-8
- Molecular Formula
- H14Cl2N4OPd
- Molecular Mass
- 263.47 g/mol
Identifiers
CAS Registry Number
13933-31-8
SMILES
N.N.N.N.O.[Cl-].[Cl-].[Pd+2]
InChI Key
WVCXSPJPERKPJS-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.4H3N.H2O.Pd/h2*1H;4*1H3;1H2;/q;;;;;;;+2/p-2
Names and Synonyms
- Palladium(2+), Tetraammine-, Dichloride, Monohydrate, (Sp-4-1)- Systematic Name
- Palladium(2+), tetraammine-, dichloride, monohydrate, (SP-4-1)- Synonym
- Palladium(2+), tetraammine-, dichloride, monohydrate Synonym
- Tetraamminepalladium dichloride, hydrate Synonym
- Tetraamminepalladium(2+) dichloride monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.47 g/mol | CAS Common Chemistry |
| 263.46500000000003 g/mol | RDKit | |
| 263.465 g/mol | RDKit | |
| 267.491 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].O.[NH3][Pd+2]([NH3])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.4H3N.H2O.Pd/h2*1H;4*1H3;1H2;/q;;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WVCXSPJPERKPJS-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Palladium(2+), tetraammine-, dichloride, monohydrate, (SP-4-1)- | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 171.5 Ų | RDKit |
| LogP | -6.171199999999999 | RDKit |
| -6.1712 | RDKit | |
| Molar Refractivity | 23.70220000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 261.957952428 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 263.47 g/mol. Edit any field — others recompute live.
