Back to Search
4-(Phenylazo)Diphenylamine
CAS: 101-75-7 | C18H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-75-7
Molecular Formula:
C18H15N3
Molecular Mass:
273.34 g/mol
Names and Synonyms:
4-(Phenylazo)Diphenylamine
Benzenamine, N-phenyl-4-(2-phenyldiazenyl)-
Diphenylamine, 4-(phenylazo)-
Benzenamine, N-phenyl-4-(phenylazo)-
N-Phenyl-4-(2-phenyldiazenyl)benzenamine
4-(Phenylazo)diphenylamine
N-Phenyl-4-aminoazobenzene
4-Anilinoazobenzene
4-(Phenylamino)azobenzene
4-Phenazodiphenylamine
NSC 74774
N-Phenyl-4-(phenylazo)benzenamine
N-Phenyl-4-(phenylazo)aniline
Identifiers:
SMILES:
c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1
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
Key Properties
Melting Point
80-81 °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 | 273.34 g/mol | CAS Common Chemistry |
| 273.33900000000006 g/mol | RDKit | |
| 273.12659748000004 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 |
| Molar Refractivity | 86.78470000000003 | RDKit |
