1-Aminoanthraquinone - ≥97% , CAS No.82-45-1

CAS: 82-45-1 Cat. No.: A113319 Molecular Weight: 223.23 Beilstein Registry Number: 396360 EC Number: 201-423-5

GRADE & PURITY ≥97%

Synonyms

C.I.37275 | .alpha.-Anthraquinonylamine | BDBM50094891 | Aminoanthraquinone | BRN 0396360 | 1-AMINOANTHRAQUINONE [MI] | NSC 458 | alpha-Anthraquinonylamine | STK076745 | 1-Aminoanthra-9,10-quinone # | 1-Aminoanthrachinon | AMINOANTHRAQUINONE, 1- | 1-Amino

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

C.I.37275 | .alpha.-Anthraquinonylamine | BDBM50094891 | Aminoanthraquinone | BRN 0396360 | 1-AMINOANTHRAQUINONE [MI] | NSC 458 | alpha-Anthraquinonylamine | STK076745 | 1-Aminoanthra-9, 10-quinone # | 1-Aminoanthrachinon | AMINOANTHRAQUINONE, 1- | 1-Amino

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

1-Aminoanthraquinone has the ability to increase the solubility of anthraquinone derivatives in supercritical carbon dioxide.

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180138
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180138
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N
• IUPAC Name: 1-aminoanthracene-9,10-dione
• InChIKey: KHUFHLFHOQVFGB-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N
• WGK Germany: 1
• RTECS: CB5075000
• Molecular Weight: 223.23
• Beilstein: 396360
• Reaxy-Rn: 396360
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=396360&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: Aryl ketones Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Vinylogous amide - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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

Associated Targets(Human)

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, benzene, chlroform, ether, glacial acetic acid, HCl
• Melt Point(°C): 253-255°C
• Molecular Weight: 223.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 223.063 Da
• Monoisotopic Mass: 223.063 Da
• Topological Polar Surface Area: 60.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 352.000
• 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

References

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2. Yuanyuan Song, Ziqi Wang, Yijing Long, Yang Mao, Feng Jiang, Yuanyuan Lu.  (2022)  2-Alkyl-anthraquinones inhibit Candida albicans biofilm via inhibiting the formation of matrix and hyphae.  RESEARCH IN MICROBIOLOGY,      [PMID:35550403] [10.1016/j.resmic.2022.103955]

3. Yujuan Qin, Pengcheng Huang, Fang-Ying Wu.  (2022)  Histamine-responsive dye-incorporated carbon dots for visual monitoring of food spoilage.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.131911]

4. Xiaojiao Li, Hong-bin Sun, Xudong Sun.  (2021)  Polysulfone grafted with anthraquinone-hydroanthraquinone redox as a flexible membrane electrode for aqueous batteries.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.124245]

5. Yao Tian, Zhipeng Zhang, Nan Gao, Pengcheng Huang, Fang–Ying Wu.  (2019)  A label-free luminescent assay for tyrosinase activity monitoring and inhibitor screening with responsive lanthanide coordination polymer nanoparticles.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31727517] [10.1016/j.saa.2019.117751]

6. Wang Zongqian, Li Changlong, Zhang Hulin, Liu Zhi.  (2018)  1-Aminoanthraquinone Diazonium Salt on the Coupling Modification Dyeing of Silk Fibroin with Enhanced Color Fastness.  FIBERS AND POLYMERS,  19  (10): (2134-2138).  [PMID:] [10.1007/s12221-018-1101-9]

7. Ma Guofu, Hua Fengting, Sun Kanjun, Feng Enke, Zhang Zhiguo, Peng Hui, Lei Ziqiang.  (2017)  Anthraquinones-modified porous carbon as composite electrode for symmetric supercapacitor.  IONICS,  24  (2): (549-561).  [PMID:] [10.1007/s11581-017-2215-6]

8. Zuo Pengli, Peng Jun, Yao Yuyang, Tan Wei, Cheng Lan, Zhang Jinyu, Lu Xiuhua.  (2024)  Fabrication of Carbon Dots with Singlet Oxygen Generation and Their Potential Photodynamic Therapy Applications.  JOURNAL OF FLUORESCENCE,      [PMID:38717650] [10.1007/s10895-024-03725-6]

9. Johar Zeb, Shuai Zhang, Muhammad Bilal Ahmed Qureshi, Manas Kumar Mandal, Qunhui Yuan, Wei Gan.  (2025)  Investigation of ultrafast charge dynamics in aminoanthraquinone by transient absorption spectroscopy.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2025.121170]