Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,1,7-dihydro-, radical ion(1+), conjugate monoacid (9CI)
2650-77-3 structure

6H-Purin-6-one,1,7-dihydro-, radical ion(1+), conjugate monoacid (9CI)

Iupac Name:ethyl(trimethyl)azanium;bromide
CAS No.:2650-77-3
Molecular Weight:168.078
Molecular Formula:C11H13N3 (isomer)
Names and Identifiers
Synonyms

6H-Purin-6-one, 1,7-dihydro-, radical ion(1+), conjugate monoacid (9CI)

Inchi
InChI=1S/C5H14N.BrH/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1
InChkey
UMSGVWVBUHUHEH-UHFFFAOYSA-M
Canonical Smiles
CC[N+](C)(C)C.[Br-]
Computational chemical data
  • Molecular Weight:168.078g/mol
  • Molecular Formula:C11H13N3
  • Compound Is Canonicalized:True
  • Exact Mass:167.031
  • Monoisotopic Mass:167.031
  • Complexity:33.7
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:7
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBiAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAAAADBAAQCAAMAAAAA AAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
 
<