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Disperse Orange 11
CAS: 82-28-0 | C15H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
82-28-0
Molecular Formula:
C15H11NO2
Molecular Mass:
237.26 g/mol
Names and Synonyms:
Disperse Orange 11
9,10-Anthracenedione, 1-amino-2-methyl-
Anthraquinone, 1-amino-2-methyl-
C.I. Disperse Orange 11
1-Amino-2-methyl-9,10-anthracenedione
C.I. 60700
Acetate Fast Orange R
Acetoquinone Light Orange JL
1-Amino-2-methylanthraquinone
Artisil Orange 3RP
Celliton Orange R
Cilla Orange R
Duranol Orange G
2-Methyl-1-anthraquinonylamine
Microsetile Orange RA
Nyloquinone Orange JR
Perliton Orange 3R
Serisol Orange YL
Supracet Orange R
1-Amino-2-methyl-9,10-anthraquinone
Disperse Orange (anthraquinone dye)
C.I. Solvent Orange 35
Smoke Orange LK 6044
Disperse Orange 11
Solvent Orange 35
NSC 39943
NSC 667744
DO 11
Identifiers:
SMILES:
Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O
InChI:
InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3
Key Properties
Melting Point
6-205 °C
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 | 237.26 g/mol | CAS Common Chemistry |
| 237.258 g/mol | RDKit | |
| 237.078978592 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC=C13)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZLCUIOWQYBYEBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6-205 °C | CAS Common Chemistry |
| Name | Disperse Orange 11 | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
| LogP | 2.352620000000001 | RDKit |
| Molar Refractivity | 68.89840000000002 | RDKit |
