Back to Search
Disperse Black 9
CAS: 12222-69-4 | C16H20N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12222-69-4
Molecular Formula:
C16H20N4O2
Molecular Mass:
300.36 g/mol
Names and Synonyms:
Disperse Black 9
Ethanol, 2,2′-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-
Ethanol, 2,2′-[[p-[(p-aminophenyl)azo]phenyl]imino]di-
Ethanol, 2,2′-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-
2,2′-[[4-[2-(4-Aminophenyl)diazenyl]phenyl]imino]bis[ethanol]
4-Amino-4′-[bis(β-hydroxyethyl)amino]azobenzene
Disperse Black 9
C.I. 111301
Eastman Black SN
C.I. Disperse Black 9
Amacel Black 3G
Artisil Diazo Black SGVW
4-(4′-Anilinoazo)-N,N-bis(2-hydroxyethyl)aniline
Disperse Black No. 9
2,2′-((4-((4-Aminophenyl)diazenyl)phenyl)azanediyl)diethanol
Identifiers:
SMILES:
Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1
InChI:
InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2
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 | 300.36 g/mol | CAS Common Chemistry |
| 300.36199999999997 g/mol | RDKit | |
| 300.15862588 g/mol | RDKit | |
| Canonical SMILES | OCCN(C1=CC=C(N=NC2=CC=C(N)C=C2)C=C1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NZKTVPCPQIEVQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disperse Black 9 | CAS Common Chemistry |
| Heavy Atom Count | 22 | 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 | 2.4752 | RDKit |
| Molar Refractivity | 87.85700000000003 | RDKit |
