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Home> Encyclopedia > Hot Product Listed 6   > 6-Quinoxalinamine,N,5-dimethyl-3-phenyl-
548438-09-1 structure

6-Quinoxalinamine,N,5-dimethyl-3-phenyl-

Iupac Name:4-(2,3-dihydro-1H-tetrazol-5-yl)imidazol-2-one
CAS No.:548438-09-1
Molecular Weight:152.117
Molecular Formula:C20H27N3O6 (isomer)
Names and Identifiers
Synonyms

6-quinoxalinamine, N,5-dimethyl-3-phenyl- N,5-Dimethyl-3-phenylquinoxalin-6-amine

Inchi
InChI=1S/C4H4N6O/c11-4-5-1-2(6-4)3-7-9-10-8-3/h1,9-10H,(H,7,8)
InChkey
GHBVZMVQUOQJRB-UHFFFAOYSA-N
Canonical Smiles
C1=NC(=O)N=C1C2=NNNN2
Properties
Density
1.67
Flash Point
415.9°C
Safety and Handling
Safety

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Toxicity
1.    

mic-bac-sat 20 nmol/plate

    MUREAV    Mutation Research. 346 (1995),99.
Specification

 6-Quinoxalinamine, N,5-dimethyl-3-phenyl- ,its CAS NO. is 161697-02-5,the synonyms is 5-Methyl-6-methylamino-3-phenylquinoxaline ; CCRIS 8299 ; N,5-Dimethyl-3-phenyl-6-quinoxalinamine .

Computational chemical data
  • Molecular Weight:152.117g/mol
  • Molecular Formula:C20H27N3O6
  • Compound Is Canonicalized:True
  • Exact Mass:152.045
  • Monoisotopic Mass:152.045
  • Complexity:289
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:90.2A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjoAAAAAAAAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAjBAAQBAAJiAAAo ARIhNAAAAAAAAAIQIAAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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