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Molecule
3-Methyl-4-[2-(4-Methylphenyl)Diazenyl]Benzenamine
CAS: 3963-79-9 · C14H15N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3963-79-9
- Molecular Formula
- C14H15N3
- Molecular Mass
- 225.29 g/mol
Identifiers
CAS Registry Number
3963-79-9
SMILES
Cc1ccc(N=Nc2ccc(N)cc2C)cc1
InChI Key
TUOGLTOIBJYIAO-UHFFFAOYSA-N
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
Names and Synonyms
- 3-Methyl-4-[2-(4-Methylphenyl)Diazenyl]Benzenamine Synonym
- Benzenamine, 3-methyl-4-[2-(4-methylphenyl)diazenyl]- Synonym
- Benzenamine, 3-methyl-4-[(4-methylphenyl)azo]- Synonym
- m-Toluidine, 4-(p-tolylazo)- Synonym
- 3-Methyl-4-[2-(4-methylphenyl)diazenyl]benzenamine Synonym
- 4-Amino-2,4′-dimethylazobenzene Synonym
- 4-(p-Tolylazo)-m-toluidine 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(=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 |
| 50.74 Ų | RDKit | |
| LogP | 4.301040000000003 | RDKit |
| 4.301 | RDKit | |
| Molar Refractivity | 70.94640000000004 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...
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200 ppm
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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.
