1-Acetamido-4-hydroxyanthraquinone - ≥97% , CAS No.7323-62-8

CAS: 7323-62-8 Cat. No.: A304506 Molecular Weight: 281.27

GRADE & PURITY ≥97%

Synonyms

1-Acetamido-4-hydroxyanthraquinone | DTXSID30223467 | N-(9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)acetamide | A1130 | 67NDK8K896 | UNII-67NDK8K896 | MFCD00142576 | Q27264155 | N-(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide | N-(4-hydr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Acetamido-4-hydroxyanthraquinone | DTXSID30223467 | N-(9, 10-Dihydro-4-hydroxy-9, 10-dioxo-1-anthracenyl)acetamide | A1130 | 67NDK8K896 | UNII-67NDK8K896 | MFCD00142576 | Q27264155 | N-(4-hydroxy-9, 10-dioxo-9, 10-dihydroanthracen-1-yl)acetamide | N-(4-hydr

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504757294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757294
• Canonical Smiles: CC(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: N-(4-hydroxy-9,10-dioxoanthracen-1-yl)acetamide
• InChIKey: VPZXLTVIBKOBRG-UHFFFAOYSA-N
• INCHI: 1S/C16H11NO4/c1-8(18)17-11-6-7-12(19)14-13(11)15(20)9-4-2-3-5-10(9)16(14)21/h2-7,19H,1H3,(H,17,18)
• Isomeric SMILES: CC(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
• Molecular Weight: 281.27
• Reaxy-Rn: 1008078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1008078&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: N-acetylarylamines Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Vinylogous acids Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - N-acetylarylamine - Aryl ketone - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Acetamide - Vinylogous amide - Vinylogous acid - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 198 °C
• Molecular Weight: 281.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 281.069 Da
• Monoisotopic Mass: 281.069 Da
• Topological Polar Surface Area: 83.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 475.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1