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O-Aminoazotoluene
CAS: 97-56-3 | C14H15N3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
97-56-3
Molecular Formula:
C14H15N3
Molecular Mass:
225.29 g/mol
Names and Synonyms:
O-Aminoazotoluene
Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-
C.I. Solvent Yellow 3
Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-
o-Toluidine, 4-o-tolylazo-
2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine
C.I. 11160
C.I. 11160B
o-AT
Brasilazina Oil Yellow R
2′,3-Dimethyl-4-aminoazobenzene
Fast Yellow AT
Fat Yellow B
Hidaco Oil Yellow
OAAT
Oil Yellow 21
Oil Yellow I
Oil Yellow C
Oil Yellow 2R
Oil Yellow 2681
Oil Yellow AT
Organol Yellow 2T
Somalia Yellow R
o-Aminoazotoluene
4-(o-Tolylazo)-o-toluidine
4-Amino-2′,3-dimethylazobenzene
2-Methyl-4-[(o-tolyl)azo]aniline
NSC 1797
NSC 26821
2,3′-Dimethyl-4′-aminoazobenzene
Solvent Yellow 3
Fast Garnet GBC Base
2-Methyl-4-[(2-methylphenyl)diazenyl]amine
2-Aminoazotoluene
Identifiers:
SMILES:
Cc1cc(N=Nc2ccccc2C)ccc1N
InChI:
InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3
Key Properties
Melting Point
101-102 °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 | 225.29 g/mol | CAS Common Chemistry |
| 225.29500000000002 g/mol | RDKit | |
| 225.12659748 g/mol | RDKit | |
| Canonical SMILES | N(=NC=1C=CC=CC1C)C2=CC=C(N)C(=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PFRYFZZSECNQOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101-102 °C | CAS Common Chemistry |
| Name | o-Aminoazotoluene | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 4.301040000000003 | RDKit |
| Molar Refractivity | 70.94640000000003 | RDKit |
