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Molecule
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
Identifiers
CAS Registry Number
97-56-3
SMILES
Cc1cc(N=Nc2ccccc2C)ccc1N
InChI Key
PFRYFZZSECNQOL-UHFFFAOYSA-N
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
Names and Synonyms
- O-Aminoazotoluene Common Name
- Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]- Synonym
- C.I. Solvent Yellow 3 Synonym
- Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]- Synonym
- o-Toluidine, 4-o-tolylazo- Synonym
- 2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine Synonym
- C.I. 11160 Synonym
- C.I. 11160B Synonym
- o-AT Synonym
- Brasilazina Oil Yellow R Synonym
- 2′,3-Dimethyl-4-aminoazobenzene Synonym
- Fast Yellow AT Synonym
- Fat Yellow B Synonym
- Hidaco Oil Yellow Synonym
- OAAT Synonym
- Oil Yellow 21 Synonym
- Oil Yellow I Synonym
- Oil Yellow C Synonym
- Oil Yellow 2R Synonym
- Oil Yellow 2681 Synonym
- Oil Yellow AT Synonym
- Organol Yellow 2T Synonym
- Somalia Yellow R Synonym
- o-Aminoazotoluene Synonym
- 4-(o-Tolylazo)-o-toluidine Synonym
- 4-Amino-2′,3-dimethylazobenzene Synonym
- 2-Methyl-4-[(o-tolyl)azo]aniline Synonym
- NSC 1797 Synonym
- NSC 26821 Synonym
- 2,3′-Dimethyl-4′-aminoazobenzene Synonym
- Solvent Yellow 3 Synonym
- Fast Garnet GBC Base Synonym
- 2-Methyl-4-[(2-methylphenyl)diazenyl]amine Synonym
- 2-Aminoazotoluene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.29 g/mol | CAS Common Chemistry |
| 225.29500000000002 g/mol | RDKit | |
| 225.295 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 |
| 50.74 Ų | RDKit | |
| LogP | 4.301040000000003 | RDKit |
| 4.301 | RDKit | |
| Molar Refractivity | 70.94640000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 225.12659748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 225.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15N3.
