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Home> Hot Product Listed 2   > 2,5-Cyclohexadiene-1,4-dione,2,5-bis(ethylamino)-3,6-dimethoxy-
383149-12-0 structure

2,5-Cyclohexadiene-1,4-dione,2,5-bis(ethylamino)-3,6-dimethoxy-

Iupac Name:4-[[2-(1H-indol-3-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CAS No.:383149-12-0
Molecular Weight:326.396
Molecular Formula:C10H12O4 (isomer)
Names and Identifiers
Synonyms

AC1Q6D94 CTK5D5094 DTXSID00294200 NSC 95130 nsc-95130 OR148159 OR148160 p-Benzoquinone,2,5-bis(ethylamino)-3,6-dimethoxy- (7CI)

Inchi
InChI=1S/C19H22N2O3/c1-23-17-9-13(10-18(24-2)19(17)22)11-20-8-7-14-12-21-16-6-4-3-5-15(14)16/h3-6,9-10,12,20-22H,7-8,11H2,1-2H3
InChkey
JXAXKCRNYQFDAI-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=CC(=C1O)OC)CNCCC2=CNC3=CC=CC=C32
Properties
Flash Point
°C
Computational chemical data
  • Molecular Weight:326.396g/mol
  • Molecular Formula:C10H12O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:326.163
  • Monoisotopic Mass:326.163
  • Complexity:368
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:24
  • 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
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