Pigment Red 177 - Biological stain , CAS No.4051-63-2

CAS: 4051-63-2 Cat. No.: P342018 Formula: C₂₈H₁₆N₂O₄ Peso molecolare: 444.44 Numero EC: 223-754-4 PubChem CID: 77669

GRADE & PURITY Biological Stain

Synonyms

EINECS 223-754-4 | CI 65300 | W-109939 | 4,4'-Diamino-[1,1'-bianthracene]-9,9',10,10'-tetraone | 4,4'-Diamino[1,1'-bianthracene]-9,9',10,10'-tetraone | 4,4-Diamino-[1,1-bianthracene]-9,9,10,10-tetraone | SCHEMBL278755 | AKOS025310873 | [1,1'-Bianthracene]

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EINECS 223-754-4 | CI 65300 | W-109939 | 4,4'-Diamino-[1,1'-bianthracene]-9,9',10,10'-tetraone | 4,4'-Diamino[1,1'-bianthracene]-9,9',10,10'-tetraone | 4,4-Diamino-[1,1-bianthracene]-9,9,10,10-tetraone | SCHEMBL278755 | AKOS025310873 | [1,1'-Bianthracene]

Specifiche e purezza

Biological stain

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Biological Stain

Nomi e identificatori

Pubchem Sid

528776512

Sorrisi canonici

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O

IUPAC Name

1-amino-4-(4-amino-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione

InChIKey

KNMQFBWXSICVQC-UHFFFAOYSA-N

INCHI

1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2

Isomeri SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O

PubChem CID

77669

Peso molecolare

444.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 356-358° C
• Peso molecolare: 444.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 444.111 Da
• Monoisotopic Mass: 444.111 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 829.000
• 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