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Molecule
Hexaammineruthenium Trichloride
CAS: 14282-91-8 · H18Cl3N6Ru
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14282-91-8
- Molecular Formula
- H18Cl3N6Ru
- Molecular Mass
- 309.62 g/mol
Identifiers
CAS Registry Number
14282-91-8
SMILES
N.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3]
InChI Key
GBDZMMXUOBAJMN-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.6H3N.Ru/h3*1H;6*1H3;/q;;;;;;;;;+3/p-3
Names and Synonyms
- Hexaammineruthenium Trichloride Common Name
- Ruthenium(3+), hexaammine-, chloride (1:3), (OC-6-11)- Synonym
- Ruthenium(3+), hexaammine-, trichloride Synonym
- Ruthenium(3+), hexaammine-, trichloride, (OC-6-11)- Synonym
- Hexaammineruthenium trichloride Synonym
- Hexaammineruthenium(3+) trichloride Synonym
- Hexaammineruthenium(III) trichloride Synonym
- Hexaamminetrichlororuthenium Synonym
- Hexaammineruthenium(III) chloride Synonym
- Hexaamineruthenium chloride Synonym
- NSC 172783 Synonym
- RuHex chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.62 g/mol | CAS Common Chemistry |
| 309.615 g/mol | RDKit | |
| 315.654 g/mol | chempirical lib | |
| 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 |
| -8.0185 | RDKit | |
| Molar Refractivity | 30.132600000000025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 308.97020191599995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 309.62 g/mol. Edit any field — others recompute live.
