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2-[2-[4-[(2-Cyanoethyl)Ethylamino]Phenyl]Diazenyl]-5-Nitrobenzonitrile
CAS: 16889-10-4 | C18H16N6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16889-10-4
Molecular Formula:
C18H16N6O2
Molecular Mass:
348.37 g/mol
Names and Synonyms:
2-[2-[4-[(2-Cyanoethyl)Ethylamino]Phenyl]Diazenyl]-5-Nitrobenzonitrile
Benzonitrile, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitro-
Benzonitrile, 2-[[p-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro-
Benzonitrile, 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro-
2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitrobenzonitrile
2-Cyano-4-nitro-4′-(ethyl-2-cyanoethylamino)azobenzene
Celliton Red GFL
C.I. Disperse Red 73
Palanil Rubine FL
Foron Rubine SE-GFL
Artisil Rubine GFL
Disperse Red 73
Tersetile Rubine RL
Ostacet Rubine SE-LB
Fantagen Rubine RL
Dianix Rubine FG-SE
Sumikaron Rubine SE-GL
Kayalon Polyester Rubine GL-SE
Synten Rubine P-GL
Disperse Rubine GFL
Miketon Polyester Rubine GL
Kayalon Polyester Rubine GL-SE 200
Disperse Red SE-GFL
Disperse Red SE 4RB
Cbene Rubine GFL
Disperse Ruby Red GFL
Disperse Rubine SE-GFL
Rubine GFL
Samaron Red HBL 150
Samaron Red HBL
Foron Rubine RD-GFL
Disperse Scarlet SE-GFL
Disperse Rubine SE-GFL 200
Rubine SE/GFL
Identifiers:
SMILES:
CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1
InChI:
InChI=1S/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3
Key Properties
Melting Point
149-150 °C @ Solvent: 1,4-Dioxane
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 | 348.37 g/mol | CAS Common Chemistry |
| 348.3660000000001 g/mol | RDKit | |
| 348.133473752 g/mol | RDKit | |
| Canonical SMILES | N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CC)CCC#N)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QEORVDCGZONWCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149-150 °C @ Solvent: 1,4-Dioxane | CAS Common Chemistry |
| Name | 2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitrobenzonitrile | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 118.68 Ų | RDKit |
| LogP | 4.621860000000004 | RDKit |
| Molar Refractivity | 96.54640000000002 | RDKit |
