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Molecule
4-Aminophenylmercuric Acetate
CAS: 6283-24-5 · C8H9HgNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6283-24-5
- Molecular Formula
- C8H9HgNO2
- Molecular Mass
- 351.76 g/mol
Identifiers
CAS Registry Number
6283-24-5
SMILES
CC(=O)[O-].NC1=CC=C=C[CH]1.[Hg+]
InChI Key
RXSUFCOOZSGWSW-UHFFFAOYSA-M
InChI
InChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1
Names and Synonyms
- 4-Aminophenylmercuric Acetate Synonym
- Mercury, (acetato-κO)(4-aminophenyl)- Synonym
- p-Aminophenylmercuric acetate Synonym
- p-Aminophenylmercuriacetate Synonym
- (4-Aminophenyl)mercuric acetate Synonym
- NSC 7927 Synonym
- Mercury, (acetato)(p-aminophenyl)- Synonym
- Mercury, (acetato-O)(4-aminophenyl)- Synonym
- Aniline, p-(acetoxymercuri)- Synonym
- (Acetato-κO)(4-aminophenyl)mercury Synonym
- p-(Acetoxymercuri)aniline Synonym
- p-Aminophenylmercury acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 351.76 g/mol | CAS Common Chemistry |
| 353.033971528 g/mol | RDKit | |
| 351.755 g/mol | RDKit | |
| 353.773 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminophenylmercuric_acetate | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Hg]C1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=RXSUFCOOZSGWSW-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | p-Aminophenylmercuric acetate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.14999999999999 Ų | RDKit |
| 66.15 Ų | RDKit | |
| LogP | -0.48811000000000004 | RDKit |
| -0.4881 | RDKit | |
| Molar Refractivity | 39.9044 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| Exact Mass | 351.755 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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100
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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 = 351.76 g/mol. Edit any field — others recompute live.
