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Molecule
Aniline Yellow
CAS: 60-09-3 · C12H11N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-09-3
- Molecular Formula
- C12H11N3
- Molecular Mass
- 197.24 g/mol
Identifiers
CAS Registry Number
60-09-3
SMILES
Nc1ccc(N=Nc2ccccc2)cc1
InChI Key
QPQKUYVSJWQSDY-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
Names and Synonyms
- Aniline Yellow Synonym
- Benzenamine, 4-(2-phenyldiazenyl)- Synonym
- C.I. Solvent Yellow 1 Synonym
- Benzenamine, 4-(phenylazo)- Synonym
- 4-(2-Phenyldiazenyl)benzenamine Synonym
- C.I. 11000 Synonym
- 4-Aminoazobenzene Synonym
- p-Aminoazobenzene Synonym
- p-Aminoazobenzol Synonym
- 4-Aminoazobenzol Synonym
- p-Aminodiphenylimide Synonym
- Brasilazina Oil Yellow G Synonym
- Cellitazol R Synonym
- Ceres Yellow R Synonym
- Fast Spirit Yellow Synonym
- Fat Yellow AAB Synonym
- Oil Yellow AAB Synonym
- Oil Yellow AB Synonym
- Oil Yellow AN Synonym
- Organol Yellow 2A Synonym
- Somalia Yellow 2G Synonym
- Sudan Yellow R Synonym
- Oil Soluble Aniline Yellow Synonym
- Oil Yellow B Synonym
- Solvent Yellow 1 Synonym
- Aniline yellow Synonym
- p-(Phenylazo)aniline Synonym
- 4-(Phenylazo)aniline Synonym
- NSC 2032 Synonym
- 4-(Phenylazo)benzenamine Synonym
- 4-(Phenyldiazenyl)aniline Synonym
- Solvent yellow? Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.24 g/mol | CAS Common Chemistry |
| 197.24100000000004 g/mol | RDKit | |
| 197.241 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aniline_Yellow | CAS Common Chemistry |
| Boiling Point | >360 °C | CAS Common Chemistry |
| Canonical SMILES | N(=NC1=CC=C(N)C=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QPQKUYVSJWQSDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C | CAS Common Chemistry |
| Name | 4-Aminoazobenzene | CAS Common Chemistry |
| Aniline Yellow | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.739999999999995 Ų | RDKit |
| 50.74 Ų | RDKit | |
| LogP | 3.6842000000000015 | RDKit |
| 3.6842 | RDKit | |
| Molar Refractivity | 61.47240000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 197.095297352 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 = 197.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11N3.
