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Hexaammineruthenium Trichloride
CAS: 14282-91-8 | H18Cl3N6Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14282-91-8
Molecular Formula:
H18Cl3N6Ru
Molecular Mass:
309.62 g/mol
Names and Synonyms:
Hexaammineruthenium Trichloride
Ruthenium(3+), hexaammine-, chloride (1:3), (OC-6-11)-
Ruthenium(3+), hexaammine-, trichloride
Ruthenium(3+), hexaammine-, trichloride, (OC-6-11)-
Hexaammineruthenium trichloride
Hexaammineruthenium(3+) trichloride
Hexaammineruthenium(III) trichloride
Hexaamminetrichlororuthenium
Hexaammineruthenium(III) chloride
Hexaamineruthenium chloride
NSC 172783
RuHex chloride
Identifiers:
SMILES:
N.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3]
InChI:
InChI=1S/3ClH.6H3N.Ru/h3*1H;6*1H3;/q;;;;;;;;;+3/p-3
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 | 309.62 g/mol | CAS Common Chemistry |
| 309.615 g/mol | RDKit | |
| 308.97020191599995 g/mol | RDKit | |
| Canonical SMILES | [Cl-].[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.6H3N.Ru/h3*1H;6*1H3;/q;;;;;;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=GBDZMMXUOBAJMN-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Hexaammineruthenium trichloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 210.0 Ų | RDKit |
| LogP | -8.018500000000001 | RDKit |
| Molar Refractivity | 30.132600000000025 | RDKit |
