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Molecule
4-(Phenylazo)Diphenylamine
CAS: 101-75-7 · C18H15N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-75-7
- Molecular Formula
- C18H15N3
- Molecular Mass
- 273.34 g/mol
Identifiers
CAS Registry Number
101-75-7
SMILES
c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1
InChI Key
VXLFYNFOITWQPM-UHFFFAOYSA-N
InChI
InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
Names and Synonyms
- 4-(Phenylazo)Diphenylamine Synonym
- Benzenamine, N-phenyl-4-(2-phenyldiazenyl)- Synonym
- Diphenylamine, 4-(phenylazo)- Synonym
- Benzenamine, N-phenyl-4-(phenylazo)- Synonym
- N-Phenyl-4-(2-phenyldiazenyl)benzenamine Synonym
- 4-(Phenylazo)diphenylamine Synonym
- N-Phenyl-4-aminoazobenzene Synonym
- 4-Anilinoazobenzene Synonym
- 4-(Phenylamino)azobenzene Synonym
- 4-Phenazodiphenylamine Synonym
- NSC 74774 Synonym
- N-Phenyl-4-(phenylazo)benzenamine Synonym
- N-Phenyl-4-(phenylazo)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.34 g/mol | CAS Common Chemistry |
| 273.33900000000006 g/mol | RDKit | |
| 273.339 g/mol | RDKit | |
| Canonical SMILES | N(=NC1=CC=C(C=C1)NC=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H | CAS Common Chemistry |
| InChI Key | InChIKey=VXLFYNFOITWQPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-81 °C | CAS Common Chemistry |
| Name | 4-(Phenylazo)diphenylamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 36.75 Ų | RDKit |
| LogP | 5.845600000000004 | RDKit |
| 5.8456 | RDKit | |
| Molar Refractivity | 86.78470000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 273.12659748000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 273.34 g/mol. Edit any field — others recompute live.
