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Molecule
4-(Phenylazo)-N,N-diethylaniline
CAS: 2481-94-9 · C16H19N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2481-94-9
- Molecular Formula
- C16H19N3
- Molecular Mass
- 253.35 g/mol
Identifiers
CAS Registry Number
2481-94-9
SMILES
CCN(CC)c1ccc(N=Nc2ccccc2)cc1
InChI Key
SJJISKLXUJVZOA-UHFFFAOYSA-N
InChI
InChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
Names and Synonyms
- 4-(Phenylazo)-N,N-diethylaniline Synonym
- Solvent Yellow 56 Synonym
- Benzenamine, N,N-diethyl-4-(2-phenyldiazenyl)- Synonym
- C.I. Solvent Yellow 56 Synonym
- Benzenamine, N,N-diethyl-4-(phenylazo)- Synonym
- Aniline, N,N-diethyl-p-(phenylazo)- Synonym
- N,N-Diethyl-4-(2-phenyldiazenyl)benzenamine Synonym
- C.I. 11021 Synonym
- Ceres Yellow GGN Synonym
- Diethyl yellow Synonym
- Oil Yellow 2635 Synonym
- Oil Yellow DE Synonym
- Oil Yellow DEA Synonym
- Oil Yellow ENC Synonym
- Oil Yellow GA Synonym
- Oil Yellow NB Synonym
- Sudan Yellow GGN Synonym
- Waxoline Yellow ED Synonym
- 4-(Diethylamino)azobenzene Synonym
- p-(Diethylamino)azobenzene Synonym
- N,N-Diethyl-4-(phenylazo)aniline Synonym
- N,N-Diethyl-4-aminoazobenzene Synonym
- 4-(N,N-Diethylamino)azobenzene Synonym
- Fat Yellow GGN Synonym
- Fast Oil Yellow 64403 Synonym
- Orient Oil Yellow GGS Synonym
- Sico Fat Yellow P Synonym
- Sudan Yellow 150 Synonym
- Solvent Yellow 56 Synonym
- Aizen SOT Yellow 1 Synonym
- SOT Yellow 1 Synonym
- Orient Oil Yellow 56 Synonym
- Akrodye Oil Yellow 6 Synonym
- Oilsol Yellow DEA Synonym
- Oil Yellow SS Special Synonym
- NSC 102374 Synonym
- Oil Yellow GE Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 253.35 g/mol | CAS Common Chemistry |
| 253.34900000000002 g/mol | RDKit | |
| 253.349 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Solvent_Yellow_56 | CAS Common Chemistry |
| Canonical SMILES | N(=NC1=CC=C(C=C1)N(CC)CC)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SJJISKLXUJVZOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97-98 °C | CAS Common Chemistry |
| Name | Solvent Yellow 56 | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.96 Ų | RDKit |
| 27.73 Ų | chempirical lib | |
| LogP | 4.948200000000004 | RDKit |
| 4.9482 | RDKit | |
| Molar Refractivity | 80.62100000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 253.15789760799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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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.
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MW = 253.35 g/mol. Edit any field — others recompute live.
