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2,2′-[[4-[2-(4-Aminophenyl)Diazenyl]-3-Methylphenyl]Imino]Bis[Ethanol]
CAS: 104226-21-3 | C17H22N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104226-21-3
Molecular Formula:
C17H22N4O2
Molecular Mass:
314.39 g/mol
Names and Synonyms:
2,2′-[[4-[2-(4-Aminophenyl)Diazenyl]-3-Methylphenyl]Imino]Bis[Ethanol]
Ethanol, 2,2′-[[4-[2-(4-aminophenyl)diazenyl]-3-methylphenyl]imino]bis-
Ethanol, 2,2′-[[4-[(4-aminophenyl)azo]-3-methylphenyl]imino]bis-
2,2′-[[4-[2-(4-Aminophenyl)diazenyl]-3-methylphenyl]imino]bis[ethanol]
3-Methyl-4-(4′-anililnoazo)-N,N-bis(2-hydroxyethyl)aniline
HC Yellow No. 7
HC Yellow 7
HC Yellow 77
Identifiers:
SMILES:
Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc(N)cc1
InChI:
InChI=1S/C17H22N4O2/c1-13-12-16(21(8-10-22)9-11-23)6-7-17(13)20-19-15-4-2-14(18)3-5-15/h2-7,12,22-23H,8-11,18H2,1H3
Key Properties
Melting Point
149 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 314.39 g/mol | CAS Common Chemistry |
| 314.38900000000007 g/mol | RDKit | |
| 314.174275944 g/mol | RDKit | |
| Canonical SMILES | OCCN(C1=CC=C(N=NC2=CC=C(N)C=C2)C(=C1)C)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N4O2/c1-13-12-16(21(8-10-22)9-11-23)6-7-17(13)20-19-15-4-2-14(18)3-5-15/h2-7,12,22-23H,8-11,18H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YSVKKVUAUKQDBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149 °C | CAS Common Chemistry |
| Name | 2,2′-[[4-[2-(4-Aminophenyl)diazenyl]-3-methylphenyl]imino]bis[ethanol] | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 94.44 Ų | RDKit |
| LogP | 2.78362 | RDKit |
| Molar Refractivity | 92.59400000000001 | RDKit |
