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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 Mass
- 239.23 g/mol
Identifiers
CAS Registry Number
116-85-8
SMILES
Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
InChI Key
AQXYVFBSOOBBQV-UHFFFAOYSA-N
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
Names and Synonyms
- 1-Amino-4-Hydroxyanthraquinone Systematic Name
- 9,10-Anthracenedione, 1-amino-4-hydroxy- Synonym
- Duranol Red 2B Synonym
- Anthraquinone, 1-amino-4-hydroxy- Synonym
- 1-Amino-4-hydroxy-9,10-anthracenedione Synonym
- C.I. 60710 Synonym
- Acetate Fast Red 2B Synonym
- Acetoquinone Light Gooseberry RL Synonym
- Acetylon Fast Pink B Synonym
- Amacel Pink B Synonym
- Artisil Direct Red 3BP Synonym
- Artisil Red 3BP Synonym
- Calcosyn Pink B Synonym
- Celanthrene Red 3BN Synonym
- Celliton Fast Pink BA-CF Synonym
- Celliton Fast Pink BN Synonym
- Celutate Pink B Synonym
- Celutate Pink BN Synonym
- Celutate Pink BY Synonym
- Cibacet Red E 3B Synonym
- Cibacet Red 3B Synonym
- Cilla Fast Pink BN Synonym
- C.I. Disperse Red 15 Synonym
- Diacelliton Fast Pink B Synonym
- Fenacet Fast Pink B Synonym
- Interchem Acetate Pink BLF Synonym
- Interchem Hisperse Pink BH Synonym
- Microsetile Pink BN Synonym
- Nacelan Pink B Synonym
- Neosetile Pink BN Synonym
- Para M Synonym
- Perliton Pink 3B Synonym
- Serisol Fast Red 2B Synonym
- Setacyl Pink 3B Synonym
- Supracet Brilliant Red 2B Synonym
- 1-Amino-4-hydroxyanthraquinone Synonym
- Disperse Red 2S Synonym
- Disperse Red 15 Synonym
- 4-Amino-1-hydroxyanthraquinone Synonym
- Disperse Fast Pink B Synonym
- 1-Amino-4-hydroxy-9,10-anthraquinone Synonym
- Dispersol Orange D-G Synonym
- 1-Hydroxy-4-aminoanthraquinone Synonym
- C.I. Solvent Red 53 Synonym
- Oracet Red 3B Synonym
- NSC 1485 Synonym
- 4-Hydroxy-1-aminoanthraquinone Synonym
- 1-Hydroxy-4-amino-9,10-anthraquinone Synonym
- Diacelliton Pink B Synonym
- Dispersol Red A 2B Synonym
- 1-Amino-4-hydroxyl-9,10-anthracenedione Synonym
- 1-Amino-4-hydroxy-9,10-dihydroanthracene-9,10-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 239.23 g/mol | CAS Common Chemistry |
| 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 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
