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Molecule
Ruthenate(2-), Hexachloro-, Ammonium (1:2), (Oc-6-11)-
CAS: 18746-63-9 · H8Cl6N2Ru
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18746-63-9
- Molecular Formula
- H8Cl6N2Ru
- Molecular Mass
- 349.87 g/mol
Identifiers
CAS Registry Number
18746-63-9
SMILES
Cl.Cl.N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]
InChI Key
DHTSBQSPUBOKKI-UHFFFAOYSA-J
InChI
InChI=1S/6ClH.2H3N.Ru/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
Names and Synonyms
- Ruthenate(2-), Hexachloro-, Ammonium (1:2), (Oc-6-11)- Systematic Name
- Ruthenate(2-), hexachloro-, ammonium (1:2), (OC-6-11)- Synonym
- Ruthenate(2-), hexachloro-, diammonium Synonym
- Ruthenate(2-), hexachloro-, diammonium, (OC-6-11)- Synonym
- Ammonium hexachlororuthenate(IV) Synonym
- Ammonium chlororuthenate(IV) Synonym
- Diammonium hexachlororuthenate(2-) Synonym
- Diammonium hexachlororuthenate Synonym
- Ammonium ruthenium chloride ((NH4)2RuCl6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.87 g/mol | CAS Common Chemistry |
| 349.866 g/mol | RDKit | |
| 356.904 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-][Ru+4]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/6ClH.2H3N.Ru/h6*1H;2*1H3;/q;;;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=DHTSBQSPUBOKKI-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Ruthenate(2-), hexachloro-, ammonium (1:2), (OC-6-11)- | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.0 Ų | RDKit |
| LogP | -10.8189 | RDKit |
| Molar Refractivity | 24.54020000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 347.78621363599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 349.87 g/mol. Edit any field — others recompute live.
