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Dichloro(Ethylenediamine)Platinum(Ii)
CAS: 14096-51-6 | C2H8Cl2N2Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14096-51-6
Molecular Formula:
C2H8Cl2N2Pt
Molecular Mass:
326.08 g/mol
Names and Synonyms:
Dichloro(Ethylenediamine)Platinum(Ii)
Platinum, dichloro(1,2-ethanediamine-κN1,κN2)-, (SP-4-2)-
Platinum, dichloro(ethylenediamine)-
Platinum, dichloro(1,2-ethanediamine-N,N′)-, (SP-4-2)-
Platinum, dichloro(1,2-ethanediamine-κN,κN′)-, (SP-4-2)-
(SP-4-2)-Dichloro(1,2-ethanediamine-κN1,κN2)platinum
Dichloro(ethylenediamine)platinum(II)
Platinum ethylenediamine dichloride
cis-Dichloro ethylenediammine platinum
cis-Dichloro(ethylenediamine)platinum
Dichloro(1,2-diaminoethane)platinum
NSC 125181
Dichloro(ethane-1,2-diamine)platinum(II)
Enplatin
CPA 3
Dichloro(1,2-ethanediamine)platinum
Identifiers:
SMILES:
NCCN.[Cl-].[Cl-].[Pt+2]
InChI:
InChI=1S/C2H8N2.2ClH.Pt/c3-1-2-4;;;/h1-4H2;2*1H;/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 | 326.08 g/mol | CAS Common Chemistry |
| 326.084 g/mol | RDKit | |
| 324.971244716 g/mol | RDKit | |
| Canonical SMILES | [Cl-][Pt+2]1([Cl-])[NH2]CC[NH2]1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2.2ClH.Pt/c3-1-2-4;;;/h1-4H2;2*1H;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=LMABILRJNNFCPG-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Dichloro(ethylenediamine)platinum(II) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | -7.090699999999998 | RDKit |
| Molar Refractivity | 18.108800000000006 | RDKit |
