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Molecule
Aurate(1-), Tetrachloro-, Ammonium, Hydrate, (Sp-4-1)-
CAS: 13874-04-9 · H6AuCl4NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13874-04-9
- Molecular Formula
- H6AuCl4NO
- Molecular Mass
- 374.83 g/mol
Identifiers
CAS Registry Number
13874-04-9
SMILES
Cl.N.O.[Au+3].[Cl-].[Cl-].[Cl-]
InChI Key
DTYXSEJVOCMIPK-UHFFFAOYSA-K
InChI
InChI=1S/Au.4ClH.H3N.H2O/h;4*1H;1H3;1H2/q+3;;;;;;/p-3
Names and Synonyms
- Aurate(1-), Tetrachloro-, Ammonium, Hydrate, (Sp-4-1)- Systematic Name
- Aurate(1-), tetrachloro-, ammonium, hydrate, (SP-4-1)- Synonym
- Ammonium tetrachloroaurate(III), hydrate Synonym
- Aurate(1-), tetrachloro-, ammonium, hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.83 g/mol | CAS Common Chemistry |
| 374.83299999999997 g/mol | RDKit | |
| 374.833 g/mol | RDKit | |
| 378.853 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-][Au+3]([Cl-])([Cl-])[Cl-].O.[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/Au.4ClH.H3N.H2O/h;4*1H;1H3;1H2/q+3;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=DTYXSEJVOCMIPK-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Aurate(1-), tetrachloro-, ammonium, hydrate, (SP-4-1)- | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.5 Ų | RDKit |
| LogP | -9.231399999999999 | RDKit |
| -9.2314 | RDKit | |
| Molar Refractivity | 15.883899999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 372.88691823199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 374.83 g/mol. Edit any field — others recompute live.
