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Transplatin
CAS: 14913-33-8 | H6Cl2N2Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14913-33-8
Molecular Formula:
H6Cl2N2Pt
Molecular Mass:
300.05 g/mol
Names and Synonyms:
Transplatin
Platinum, diamminedichloro-, (SP-4-1)-
Platinum, diamminedichloro-, trans-
(SP-4-1)-Diamminedichloroplatinum
trans-Diamminedichloroplatinum
trans-Dichlorodiammineplatinum(II)
trans-Platinum(II) ammonium chloride
trans-Platinumdiammine dichloride
trans-Diamminedichloroplatinum(II)
trans-Dichlorodiammine platinum
trans-Dichlorodiamineplatinum(II)
Transplatin
trans-Diaminedichloroplatinum
trans-DDP
NSC 131558
Identifiers:
SMILES:
N.N.[Cl-].[Cl-].[Pt+2]
InChI:
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*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 | 300.05 g/mol | CAS Common Chemistry |
| 300.046 g/mol | RDKit | |
| 298.955594652 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 10.0442 | RDKit |
