2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline - ≥97% , CAS No.132898-07-8

CAS: 132898-07-8 Cat. No.: A331367 Molecular Weight: 241.29

GRADE & PURITY ≥97%

Synonyms

3,4,7,8-TETRAMETHYL-3H-IMIDAZO[4,5-F]QUINOXALIN-2-AMINE | 3H-Imidazo(4,5-f)quinoxalin-2-amine, 3,4,7,8-tetramethyl- | CCRIS 6409 | FT-0662074 | SCHEMBL9473191 | AKOS030255820 | 2-Amino-3,4,7,8-tetramethylimidazo(4,5-f)quinoxaline | 4,7,8-Trimeiqx | 3,4,7,

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline is a mutagenic imidazoquinoxaline and chemical in bacterial systems (Ames test) as well as active in the DNA repair test in liver cells.

Specifications

Synonyms

3, 4, 7, 8-TETRAMETHYL-3H-IMIDAZO[4, 5-F]QUINOXALIN-2-AMINE | 3H-Imidazo(4, 5-f)quinoxalin-2-amine, 3, 4, 7, 8-tetramethyl- | CCRIS 6409 | FT-0662074 | SCHEMBL9473191 | AKOS030255820 | 2-Amino-3, 4, 7, 8-tetramethylimidazo(4, 5-f)quinoxaline | 4, 7, 8-Trimeiqx | 3, 4, 7,

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC2=NC(=C(N=C2C3=C1N(C(=N3)N)C)C)C
• IUPAC Name: 3,4,7,8-tetramethylimidazo[4,5-f]quinoxalin-2-amine
• InChIKey: MCFPPHKNJUOYBX-UHFFFAOYSA-N
• INCHI: 1S/C13H15N5/c1-6-5-9-10(16-8(3)7(2)15-9)11-12(6)18(4)13(14)17-11/h5H,1-4H3,(H2,14,17)
• Isomeric SMILES: CC1=CC2=NC(=C(N=C2C3=C1N(C(=N3)N)C)C)C
• Molecular Weight: 241.29
• Reaxy-Rn: 6336755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6336755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Benzimidazoles Pyrazines N-substituted imidazoles Benzenoids Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzimidazole - Aminoimidazole - Benzenoid - Pyrazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Primary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

• Solubility: Soluble in Methanol
• Melt Point(°C): >250°C (dec.)
• Molecular Weight: 241.290 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 241.133 Da
• Monoisotopic Mass: 241.133 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 323.000
• 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