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Molecule
Meisei Acemyl Diazo Black B
CAS: 539-17-3 · C14H16N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 539-17-3
- Molecular Formula
- C14H16N4
- Molecular Mass
- 240.31 g/mol
Identifiers
CAS Registry Number
539-17-3
SMILES
CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1
InChI Key
BVRIUXYMUSKBHG-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3
Names and Synonyms
- Meisei Acemyl Diazo Black B Synonym
- 4-[2-(4-Aminophenyl)Diazenyl]-N,N-Dimethylbenzenamine Synonym
- Benzenamine, 4-[2-(4-aminophenyl)diazenyl]-N,N-dimethyl- Synonym
- C.I. Disperse Black 3 Synonym
- Benzenamine, 4-[(4-aminophenyl)azo]-N,N-dimethyl- Synonym
- Aniline, N,N-dimethyl-4,4′-azodi- Synonym
- 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine Synonym
- C.I. 11025 Synonym
- Acetile Diazo Black N Synonym
- Acetile Diazo Black R Synonym
- p-Aminobenzeneazodimethylaniline Synonym
- Diazo Nero Microsetile G Synonym
- Interchem Acetate Developed Black Synonym
- Meisei Teryl Diazo Black CR Synonym
- Microsetile Diazo Black G Synonym
- Supracet Diazo Black A Synonym
- 4-Amino-4′-(dimethylamino)azobenzene Synonym
- ADAB Synonym
- 4′-Amino-N,N-dimethyl-4-aminoazobenzene Synonym
- 4-(Dimethylamino)-4′-aminoazobenzene Synonym
- p′-Amino-p-(dimethylamino)azobenzene Synonym
- 4′-Amino-4-(dimethylamino)azobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.31 g/mol | CAS Common Chemistry |
| Canonical SMILES | N(=NC1=CC=C(C=C1)N(C)C)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BVRIUXYMUSKBHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190 °C (decomp) | CAS Common Chemistry |
| Name | 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.980000000000004 Ų | RDKit |
| 53.98 Ų | RDKit | |
| 53.75 Ų | chempirical lib | |
| LogP | 3.7502000000000013 | RDKit |
| 3.7502 | RDKit | |
| Molar Refractivity | 75.79940000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 240.13749651199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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40
20
0 ppm
| 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.
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MW = 240.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H16N4.
