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1-Amino-4-Hydroxyanthraquinone
CAS: 116-85-8 | C14H9NO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
116-85-8
Molecular Formula:
C14H9NO3
Molecular Mass:
239.23 g/mol
Names and Synonyms:
1-Amino-4-Hydroxyanthraquinone
9,10-Anthracenedione, 1-amino-4-hydroxy-
Duranol Red 2B
Anthraquinone, 1-amino-4-hydroxy-
1-Amino-4-hydroxy-9,10-anthracenedione
C.I. 60710
Acetate Fast Red 2B
Acetoquinone Light Gooseberry RL
Acetylon Fast Pink B
Amacel Pink B
Artisil Direct Red 3BP
Artisil Red 3BP
Calcosyn Pink B
Celanthrene Red 3BN
Celliton Fast Pink BA-CF
Celliton Fast Pink BN
Celutate Pink B
Celutate Pink BN
Celutate Pink BY
Cibacet Red E 3B
Cibacet Red 3B
Cilla Fast Pink BN
C.I. Disperse Red 15
Diacelliton Fast Pink B
Fenacet Fast Pink B
Interchem Acetate Pink BLF
Interchem Hisperse Pink BH
Microsetile Pink BN
Nacelan Pink B
Neosetile Pink BN
Para M
Perliton Pink 3B
Serisol Fast Red 2B
Setacyl Pink 3B
Supracet Brilliant Red 2B
1-Amino-4-hydroxyanthraquinone
Disperse Red 2S
Disperse Red 15
4-Amino-1-hydroxyanthraquinone
Disperse Fast Pink B
1-Amino-4-hydroxy-9,10-anthraquinone
Dispersol Orange D-G
1-Hydroxy-4-aminoanthraquinone
C.I. Solvent Red 53
Oracet Red 3B
NSC 1485
4-Hydroxy-1-aminoanthraquinone
1-Hydroxy-4-amino-9,10-anthraquinone
Diacelliton Pink B
Dispersol Red A 2B
1-Amino-4-hydroxyl-9,10-anthracenedione
1-Amino-4-hydroxy-9,10-dihydroanthracene-9,10-dione
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
Key Properties
Melting Point
216 °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 | 239.23 g/mol | CAS Common Chemistry |
| 239.058243148 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(N)=CC=C(O)C13 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=AQXYVFBSOOBBQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 216 °C | CAS Common Chemistry |
| Name | 1-Amino-4-hydroxyanthraquinone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 80.39 Ų | RDKit |
| LogP | 1.7498 | RDKit |
| Molar Refractivity | 65.82620000000001 | RDKit |
