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Aurate(1-), Tetrachloro-, Ammonium, Hydrate, (Sp-4-1)-
CAS: 13874-04-9 | H6AuCl4NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13874-04-9
Molecular Formula:
H6AuCl4NO
Molecular Mass:
374.83 g/mol
Names and Synonyms:
Aurate(1-), Tetrachloro-, Ammonium, Hydrate, (Sp-4-1)-
Aurate(1-), tetrachloro-, ammonium, hydrate, (SP-4-1)-
Ammonium tetrachloroaurate(III), hydrate
Aurate(1-), tetrachloro-, ammonium, hydrate
Identifiers:
SMILES:
Cl.N.O.[Au+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Au.4ClH.H3N.H2O/h;4*1H;1H3;1H2/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 | 374.83 g/mol | CAS Common Chemistry |
| 374.83299999999997 g/mol | RDKit | |
| 372.88691823199997 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 15.883899999999999 | RDKit |
