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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
Names and Synonyms:
Aniline Yellow
Benzenamine, 4-(2-phenyldiazenyl)-
C.I. Solvent Yellow 1
Benzenamine, 4-(phenylazo)-
4-(2-Phenyldiazenyl)benzenamine
C.I. 11000
4-Aminoazobenzene
p-Aminoazobenzene
p-Aminoazobenzol
4-Aminoazobenzol
p-Aminodiphenylimide
Brasilazina Oil Yellow G
Cellitazol R
Ceres Yellow R
Fast Spirit Yellow
Fat Yellow AAB
Oil Yellow AAB
Oil Yellow AB
Oil Yellow AN
Organol Yellow 2A
Somalia Yellow 2G
Sudan Yellow R
Oil Soluble Aniline Yellow
Oil Yellow B
Solvent Yellow 1
Aniline yellow
p-(Phenylazo)aniline
4-(Phenylazo)aniline
NSC 2032
4-(Phenylazo)benzenamine
4-(Phenyldiazenyl)aniline
Solvent yellow?
Identifiers:
SMILES:
Nc1ccc(N=Nc2ccccc2)cc1
InChI:
InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
Key Properties
Boiling Point
>360 °C
CAS Common Chemistry
Melting Point
128 °C
CAS Common Chemistry
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 | 197.24 g/mol | CAS Common Chemistry |
| 197.24100000000004 g/mol | RDKit | |
| 197.095297352 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 |
| LogP | 3.6842000000000015 | RDKit |
| Molar Refractivity | 61.47240000000003 | RDKit |
