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Molecule
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
Identifiers
CAS Registry Number
114615-82-6
SMILES
CCC[N+](CCC)(CCC)CCC.[O].[O].[O].[O].[Ru-]
InChI Key
WRYCQGLOOXHZLU-UHFFFAOYSA-N
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
Names and Synonyms
- Tetrapropylammonium Perruthenate Synonym
- 1-Propanaminium, N,N,N-tripropyl-, (T-4)-tetraoxoruthenate(1-) (1:1) Synonym
- 1-Propanaminium, N,N,N-tripropyl-, (T-4)-tetraoxoruthenate(1-) Synonym
- Ruthenate (RuO41-), (T-4)-, N,N,N-tripropyl-1-propanaminium Synonym
- Tetrapropylammonium perruthenate Synonym
- Tetrapropylammonium tetraoxoruthenate(1-) Synonym
- Tetra-n-propylammonium perruthenate Synonym
- Tetrapropylammonium perruthenate(1-) Synonym
- Tetrapropylammonium tetraoxoruthenate Synonym
- TPAP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 351.43 g/mol | CAS Common Chemistry |
| 352.106182676 g/mol | RDKit | |
| 351.429 g/mol | RDKit | |
| 361.509 g/mol | chempirical lib | |
| 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 |
| 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 |
| 2.9655 | RDKit | |
| Molar Refractivity | 63.63840000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 351.4289999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 351.43 g/mol. Edit any field — others recompute live.
