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3-Methyl-4-[2-(4-Methylphenyl)Diazenyl]Benzenamine
CAS: 3963-79-9 | C14H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3963-79-9
Molecular Formula:
C14H15N3
Molecular Mass:
225.29 g/mol
Names and Synonyms:
3-Methyl-4-[2-(4-Methylphenyl)Diazenyl]Benzenamine
Benzenamine, 3-methyl-4-[2-(4-methylphenyl)diazenyl]-
Benzenamine, 3-methyl-4-[(4-methylphenyl)azo]-
m-Toluidine, 4-(p-tolylazo)-
3-Methyl-4-[2-(4-methylphenyl)diazenyl]benzenamine
4-Amino-2,4′-dimethylazobenzene
4-(p-Tolylazo)-m-toluidine
Identifiers:
SMILES:
Cc1ccc(N=Nc2ccc(N)cc2C)cc1
InChI:
InChI=1S/C14H15N3/c1-10-3-6-13(7-4-10)16-17-14-8-5-12(15)9-11(14)2/h3-9H,15H2,1-2H3
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(=NC1=CC=C(N)C=C1C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N3/c1-10-3-6-13(7-4-10)16-17-14-8-5-12(15)9-11(14)2/h3-9H,15H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TUOGLTOIBJYIAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Methyl-4-[2-(4-methylphenyl)diazenyl]benzenamine | 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 | 70.94640000000004 | RDKit |
