Disperse Blue 359 - ≥86% , CAS No.62570-50-7

CAS: 62570-50-7 Cat. No.: D350629 Molecular Weight: 291.31 EC Number: 263-606-6

GRADE & PURITY ≥86%

Synonyms

1-Amino-4-(ethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile | DTXSID1069584 | SCHEMBL3253050 | Anthraquinone-2-carbonitrile, 1-amino-4-ethylamino- | 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- | Disperse Blue 359

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Amino-4-(ethylamino)-9, 10-dioxo-9, 10-dihydroanthracene-2-carbonitrile | DTXSID1069584 | SCHEMBL3253050 | Anthraquinone-2-carbonitrile, 1-amino-4-ethylamino- | 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9, 10-dihydro-9, 10-dioxo- | Disperse Blue 359

Specifications & Purity

≥86%

Storage

Room temperature

Shipped In

Normal

Purity

≥86%

Names and Identifiers

• Pubchem Sid: 504756699
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756699
• Canonical Smiles: CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: 1-amino-4-(ethylamino)-9,10-dioxoanthracene-2-carbonitrile
• InChIKey: ATXPWKWYLDEURI-UHFFFAOYSA-N
• INCHI: 1S/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3
• Isomeric SMILES: CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=O
• Molecular Weight: 291.31
• Reaxy-Rn: 30753700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30753700&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 Secondary alkylarylamines Vinylogous amides Nitriles Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aryl ketone - Secondary aliphatic/aromatic amine - Vinylogous amide - Ketone - Secondary amine - Nitrile - Carbonitrile - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen 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): 215-217° C
• Molecular Weight: 291.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 291.101 Da
• Monoisotopic Mass: 291.101 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 523.000
• 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

1. Zheng Li, Jie Li, Jing Guo, Fucheng Guan, Xin Zhang, Qiang Yang, Da Bao, Xinbin Ji, Yihang Zhang, Minghan Li, Jiahao He, Yi Xu.  (2025)  Fabrication of multi-network aerogels based on sesbania gum/nanocellulose and its application in oil recovery (from oily wastewater).  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:41075899] [10.1016/j.ijbiomac.2025.148226]