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1-Amino-4-Hydroxyanthraquinone
CAS: 116-85-8 | C14H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116-85-8
Molecular Formula:
C14H9NO3
Molecular Weight:
239.23 g/mol
Names and Synonyms:
1-Amino-4-Hydroxyanthraquinone
Perliton Pink 3B
Para M
Neosetile Pink BN
Nacelan Pink B
Microsetile Pink BN
Interchem Hisperse Pink BH
Interchem Acetate Pink BLF
Fenacet Fast Pink B
Diacelliton Fast Pink B
C.I. Disperse Red 15
Cilla Fast Pink BN
Cibacet Red 3B
Cibacet Red E 3B
Celutate Pink BY
Celutate Pink BN
Celutate Pink B
Celliton Fast Pink BN
Celliton Fast Pink BA-CF
Celanthrene Red 3BN
Calcosyn Pink B
Artisil Red 3BP
Artisil Direct Red 3BP
Amacel Pink B
Acetylon Fast Pink B
Acetoquinone Light Gooseberry RL
Acetate Fast Red 2B
C.I. 60710
1-Amino-4-hydroxy-9,10-anthracenedione
Anthraquinone, 1-amino-4-hydroxy-
Duranol Red 2B
9,10-Anthracenedione, 1-amino-4-hydroxy-
1-Amino-4-hydroxy-9,10-dihydroanthracene-9,10-dione
1-Amino-4-hydroxyl-9,10-anthracenedione
Dispersol Red A 2B
Diacelliton Pink B
1-Hydroxy-4-amino-9,10-anthraquinone
4-Hydroxy-1-aminoanthraquinone
NSC 1485
Oracet Red 3B
C.I. Solvent Red 53
1-Hydroxy-4-aminoanthraquinone
Dispersol Orange D-G
1-Amino-4-hydroxy-9,10-anthraquinone
Disperse Fast Pink B
4-Amino-1-hydroxyanthraquinone
Disperse Red 15
Disperse Red 2S
1-Amino-4-hydroxyanthraquinone
Supracet Brilliant Red 2B
Setacyl Pink 3B
Serisol Fast Red 2B
Identifiers:
SMILES:
Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
InChI:
InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 239.23 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C(N)=CC=C(O)C13 None | Legacy Database |
| cas-inchi | InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2 None | Legacy Database |
| cas-inchi-key | InChIKey=AQXYVFBSOOBBQV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 216 °C None | Legacy Database |
| cas-name | 1-Amino-4-hydroxyanthraquinone None | Legacy Database |
| LogP | 1.7498 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 239.23 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 239.058243148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.39 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 65.82620000000001 | RDKit |
