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Home> Encyclopedia > Hot Product Listed 6   > 6-Quinoxalinamine,N,5-dimethyl-3-phenyl-
1195-12-6 structure

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

Iupac Name:(1R,4R,5R)-bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
CAS No.:1195-12-6
Molecular Weight:138.166
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/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)/t5-,6+,7-/m1/s1
InChkey
FYGUSUBEMUKACF-DSYKOEDSSA-N
Canonical Smiles
C1C2CC(C1C=C2)C(=O)O
Properties
Density
1.67
Flash Point
415.9°C
Safety and Handling
HazardClass
IRRITANT
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:138.166g/mol
  • Molecular Formula:C20H27N3O6
  • Compound Is Canonicalized:True
  • Exact Mass:138.068
  • Monoisotopic Mass:138.068
  • Complexity:195
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:3
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAYIAAAAgAAAAAAAAAAAAAAAAGgAACAAADQCAgAAACAAAAgCI ACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyDCOgAAAAAAAAAAAAAAAAAAAAQAACAAA AA==
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