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Molecule
Transplatin
CAS: 14913-33-8 · H6Cl2N2Pt
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14913-33-8
- Molecular Formula
- H6Cl2N2Pt
- Molecular Mass
- 300.05 g/mol
Identifiers
CAS Registry Number
14913-33-8
SMILES
N.N.[Cl-].[Cl-].[Pt+2]
InChI Key
LXZZYRPGZAFOLE-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
Names and Synonyms
- Transplatin Common Name
- Platinum, diamminedichloro-, (SP-4-1)- Synonym
- Platinum, diamminedichloro-, trans- Synonym
- (SP-4-1)-Diamminedichloroplatinum Synonym
- trans-Diamminedichloroplatinum Synonym
- trans-Dichlorodiammineplatinum(II) Synonym
- trans-Platinum(II) ammonium chloride Synonym
- trans-Platinumdiammine dichloride Synonym
- trans-Diamminedichloroplatinum(II) Synonym
- trans-Dichlorodiammine platinum Synonym
- trans-Dichlorodiamineplatinum(II) Synonym
- Transplatin Synonym
- trans-Diaminedichloroplatinum Synonym
- trans-DDP Synonym
- NSC 131558 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.05 g/mol | CAS Common Chemistry |
| 300.046 g/mol | RDKit | |
| 304.078 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Transplatin | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Pt+2]([Cl-])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=LXZZYRPGZAFOLE-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Transplatin | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.0 Ų | RDKit |
| LogP | -5.670500000000001 | RDKit |
| -5.6705 | RDKit | |
| Molar Refractivity | 10.0442 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 298.955594652 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 300.05 g/mol. Edit any field — others recompute live.
