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Tetrapropylammonium Perruthenate
CAS: 114615-82-6 | C12H28NO4Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
114615-82-6
Molecular Formula:
C12H28NO4Ru
Molecular Mass:
351.43 g/mol
Names and Synonyms:
Tetrapropylammonium Perruthenate
1-Propanaminium, N,N,N-tripropyl-, (T-4)-tetraoxoruthenate(1-) (1:1)
1-Propanaminium, N,N,N-tripropyl-, (T-4)-tetraoxoruthenate(1-)
Ruthenate (RuO41-), (T-4)-, N,N,N-tripropyl-1-propanaminium
Tetrapropylammonium perruthenate
Tetrapropylammonium tetraoxoruthenate(1-)
Tetra-n-propylammonium perruthenate
Tetrapropylammonium perruthenate(1-)
Tetrapropylammonium tetraoxoruthenate
TPAP
Identifiers:
SMILES:
CCC[N+](CCC)(CCC)CCC.[O].[O].[O].[O].[Ru-]
InChI:
InChI=1S/C12H28N.4O.Ru/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-12H2,1-4H3;;;;;/q+1;;;;;-1
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 | 351.43 g/mol | CAS Common Chemistry |
| 351.4289999999999 g/mol | RDKit | |
| 352.106182676 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrapropylammonium_perruthenate | CAS Common Chemistry |
| Canonical SMILES | O=[Ru-](=O)(=O)=O.CCC[N+](CCC)(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H28N.4O.Ru/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-12H2,1-4H3;;;;;/q+1;;;;;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WRYCQGLOOXHZLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | TPAP | CAS Common Chemistry |
| Tetrapropylammonium perruthenate | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.0 Ų | RDKit |
| LogP | 2.9655000000000014 | RDKit |
| Molar Refractivity | 63.63840000000007 | RDKit |
